Protein Science (2016) 25(3): 720-33. DOI: 10.1002/pro.2861

Protein purification and crystallization artifacts: the tale usually not told
Ewa Niedzialkowska, Olga Gasiorowska, Katarzyna B. Handing, Karolina A. Majorek, Przemyslaw J. Porebski, Ivan G. Shabalin, Ewelina Zasadzinska, Marcin Cymborowski, Wladek Minor

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MR can be successfully used to identify crystallization artifacts

Overview of MR experiments run with diffraction data collected from crystallization artifacts: Sigma70 (YodA), GNAT (YodA) and xSix (YadF) and from NYSGC target 021790 as a control. The codes presented here were used as a templates for MR. Resulting overall R factor <= 0.30 colored in green. Missing values indicate that MOLREP was not able to find any solution.

			MR overall Rfactor
Name of protein	PDB ID	MW [kDa]	Sigma70 (YodA)	GNAT (YodA)	xSix (YadF)	021790 (control)
Metal-binding lipocalin(YodA)	1OEJ	24.5	0.28	0.24	0.54	0.55
	1OEE	22.3	0.29	0.26	0.56	0.55
	4TNN	24.5	0.24	0.30	0.56	-
	1S7D	24.8	0.28	0.24	0.55	0.54
	1TXL	24.6	0.29	0.25	0.55	0.54
Carbonic dehydratase (YadF)	1T75	25.1	0.54	0.52	0.21	0.55
	3QY1	25.1	0.54	0.52	0.22	0.55
	1I6O	27.2	0.54	0.51	0.22	0.54
	1I6P	27.2	0.54	0.52	0.2	0.54
Ferric uptake regulator (Fur)	2FU4	9.33	0.53	0.51	0.55	0.55
cAMP-regulatory protein (CRP)	2GZW	23.51	0.55	0.51	0.52	0.54
Glucosamine-6-phosphate synthase (GlmS)	1MOQ	40.31	-	0.53	-	0.54
	2J6H	66.76	-	0.55	-	0.55
	4AMV	66.86	-	0.55	-	0.55
Glycogen synthase (GlgA)	2QZS	53.89	-	0.54	-	0.55
Component 1 of the 2-oxoglutarate dehydrogenase complex (ODO1)	2JGD	105.03	-	-	-	0.56
Component E2 of the dihydrolipoamide succinyl transferase (ODO2)	1E2O	26.07	0.53	0.52	0.55	0.54
Formyl transferase (YfbG)	2BLN	33.21	0.54	0.52	0.56	0.55
	1YRW	32.83	0.54	0.53	0.56	-
	2BLL	40	0.54	0.53	-	0.55
Cu/Zn-superoxide dismutase (Cu/Zn-SODM)	1ESO	15.74	0.53	0.51	-	0.54
Chloramphenicol-O-acetyl transferase (CAT)	3U9F	25.66	0.52	0.52	0.55	0.54
	1PD5	25.66	0.53	0.51	0.56	0.54
Hsp60	4AAR	57.28	-	0.55	-	0.55
Host factor-I protein (Hfq)	4PNO	8.12	0.54	0.52	0.54	0.55
	2YHT	8.25	0.53	0.52	-	0.55
Maltose-binding protein (MBP)	1PEB	40.06	-	0.54	-	0.54
	1NL5	40.06	0.54	0.52	-	0.54
	1ZJL	40.06	0.55	0.52	-	0.55
	1ZIU	40.06	-	0.53	-	0.55
N-Utilization substance (NusA)	2CXC	16.04	0.53	0.51	-	0.54
	1U9L	7.77	0.53	0.52	0.53	0.55
	1L2F	40.9	0.54	0.53	-	0.54
	1K0R	39.81	0.55	0.51	0.55	0.54