4HZ4

Crystal structure of glutathione s-transferase b4xh91 (target efi-501787) from actinobacillus pleuropneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-26
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	54.406, 54.406, 150.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.620
R-factor	0.14114
Rwork	0.140
R-free	0.18719
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uap
RMSD bond length	0.010
RMSD bond angle	1.203
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.650
High resolution limit [Å]	1.620	1.620
Rmerge		0.360
Number of reflections	29710
<I/σ(I)>	12.9	9
Completeness [%]	99.9	100
Redundancy	25.4	25.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2		0.1M SODIUM HYDROGEN PHOSPHATE:CITRIC ACID, PH 4.2, 1.6M SODIUM DIHYDROGEN PHOSPHATE, 0.4M POTASSIUM HYDROGEN PHOSPHATE , VAPOR DIFFUSION, SITTING DROP