6W6A

Crystal structure of a pyridoxine 5'-phosphate synthease from Stenotrophomonas maltophilia K279a

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	2020-02-20
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	186.780, 57.470, 71.770
Unit cell angles	90.00, 102.40, 90.00

Refinement procedure

Resolution	45.610 - 2.450
R-factor	0.1979
Rwork	0.195
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dlc
Data reduction software	MOSFLM
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1.3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.610	45.610	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.064	0.023	0.535
Rmeas	0.075	0.028	0.622
Total number of observations	102338
Number of reflections	27465	332	2025
<I/σ(I)>	12.01	30.77	2.34
Completeness [%]	99.2	97.4	98.8
Redundancy	3.726	3.313	3.845
CC(1/2)	0.998	0.998	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	StmaA.01536.a.B1.PW38756 at 11.4 mg/mL with 3 mM PLP against Morpheus screen condition E1: 10% PEG 20,000, 20% PEG 550 MME, 0.1 M MES/imidazole pH 6.5, 0.03 M each glycol (diethyleneglycol, triethyleneglycol, tetraethyleneglycol, pentaethyleneglycol)