6M5O

Co-crystal structure of human serine hydroxymethyltransferase 2 in complex with Pyridoxal 5'-phosphate (PLP) and glycodeoxycholic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-28
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	159.840, 159.840, 211.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.356 - 2.300
R-factor	0.203792694894
Rwork	0.201
R-free	0.25587
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pvf
RMSD bond length	0.007
RMSD bond angle	0.962
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.356	4.950	2.380
High resolution limit [Å]	2.300	3.930	2.300
Rmerge	0.316	0.115	1.878
Rmeas	0.324	0.118	1.921
Number of reflections	70999	159076	157463
<I/σ(I)>	12.4	28.2	2.3
Completeness [%]	100.0	100	100
Redundancy	22.25	22.06	22.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris hydrochloride pH 8.5, 8% (w/v) polyethylene glycol 8000