5I7E

Crystal structure of B. pseudomallei FabI in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.849999
Spacegroup name	I 2 2 2
Unit cell lengths	74.686, 75.243, 85.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.325 - 1.650
R-factor	0.1599
Rwork	0.159
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ek2
RMSD bond length	0.006
RMSD bond angle	1.042
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.620	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.061	0.702
Number of reflections	28203
<I/σ(I)>	13.1	2.2
Completeness [%]	96.6	98.3
Redundancy	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES, pH 6.5, 30 % PEG 400