4LPF

Crystal structure of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 4 3 2
Unit cell lengths	112.211, 112.211, 112.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.120 - 2.300
R-factor	0.18772
Rwork	0.186
R-free	0.22111
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gqu
RMSD bond length	0.006
RMSD bond angle	1.236
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.200	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	11018
Completeness [%]	97.5	89.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	20% PEG1500, 0.2M SODIUM CITRATE, 0.1M TRIS HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K