5I8W

Crystal structure of B. pseudomallei FabI in complex with NAD and PT401

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-01-11
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.542
Spacegroup name	I 2 2 2
Unit cell lengths	74.700, 75.690, 88.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.584 - 1.629
R-factor	0.1641
Rwork	0.163
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ek2
RMSD bond length	0.006
RMSD bond angle	1.173
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.740	1.720
High resolution limit [Å]	1.629	1.630
Rmerge	0.063	0.119
Number of reflections	29346
<I/σ(I)>	15.9	8.7
Completeness [%]	93.0	88.4
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bistris, pH 6.5, 36 % PEG 300