5DLC

X-ray Crystal Structure of a Pyridoxine 5-prime-phosphate synthase from Pseudomonas aeruginosa

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	2015-03-26
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	150.460, 150.460, 86.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.250 - 2.650
R-factor	0.1755
Rwork	0.173
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f4n
RMSD bond length	0.003
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX ((1.10pre_2090: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.720
High resolution limit [Å]	2.650	2.650
Rmerge		0.382
Number of reflections	32181
<I/σ(I)>	12.97	3.18
Completeness [%]	97.2	99.2
Redundancy	3.21	3.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	Morpheus A8: 0.06 M MgCl2, 0.06 M CaCl2, 0.1 M HEPES/MOPS pH 7.50, 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350