6ULD

Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis with bound PLP forming a Schiff base with substrate Serine in one monomer and PLP forming a Schiff base with product Glycine in the other monomer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	63.650, 60.010, 101.660
Unit cell angles	90.00, 92.99, 90.00

Refinement procedure

Resolution	38.760 - 1.500
R-factor	0.1263
Rwork	0.126
R-free	0.16310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h7f
RMSD bond length	0.005
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.17rc1-3602)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.040	0.020	0.517
Rmeas	0.046	0.023	0.614
Number of reflections	121439	1434	8465
<I/σ(I)>	18.62	49.5	2.23
Completeness [%]	99.1	98.2	93.7
Redundancy	4.088	3.875	3.355
CC(1/2)	0.999	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	MytuD.00783.a.A1.PS00175 at 20.2 mg/ml, incubated with 5 mM pyrazinoic acid, mixed 1:1 with 12.5% (w/v) PEG-1000, 12.5% (w/v) PEG-3350, 12.5% (v/v) MPD, 0.1 M MES/imidazole, pH=6.5, 0.02 M of sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine. Tray: 311079g8, puck: ved0-8