4WHX

X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate

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	2014-08-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	104.140, 230.350, 77.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.254 - 2.050
R-factor	0.1639
Rwork	0.162
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.903
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1769))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.056	0.017	0.509
Rmeas	0.064	0.020	0.579
Total number of observations	485486
Number of reflections	115291	1347	8559
<I/σ(I)>	17.99	55.53	2.58
Completeness [%]	98.0	90.3	99.5
Redundancy	4.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	JCSG+ well H8 - 0.1 M BIS-TRIS pH 5.50, 0.2 M sodium chloride, 25% PEG3350, cryoprotected in 20% EG