5VC2

Crystal structure of a serine hydroxymethyltransferase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	57.970, 91.020, 161.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.813 - 1.900
R-factor	0.1655
Rwork	0.165
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n0l
RMSD bond length	0.007
RMSD bond angle	0.780
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2719)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.813	41.813	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.053	0.024	0.570
Rmeas	0.060	0.027	0.639
Number of reflections	67402	812	4954
<I/σ(I)>	17.07	40.59	2.67
Completeness [%]	98.9	92.7	100
Redundancy	4.889	4.405	4.99
CC(1/2)	0.999	0.999	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	HepyC.00008.a.B1.PS38187 at 21.07 mg/mL against Morpheus screen condition F10: 10% PEG 8000, 20% ethylene glycol, 0.02 M D-glucose, 0.02 M D-mannose, 0.02 M D-galactose, 0.02 M L-fucose, 0.02 M D-xylose, 0.02 M N-acetyl-D-glucosamine, 0.1 M bicine/Trizma pH 8.5