7FCY

Crystal structure of M.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+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-03-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 4 3 2
Unit cell lengths	113.116, 113.116, 113.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.129 - 1.848
Rwork	0.155
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gqu
RMSD bond length	0.012
RMSD bond angle	1.829
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.920
High resolution limit [Å]	1.848	1.848
Number of reflections	21801	2108
<I/σ(I)>	34.5
Completeness [%]	100.0
Redundancy	36.8
CC(1/2)	0.960	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	293	20% PEG1500, 0.2M sodium citrate tribasic dehydrate, 0.1M Tris HCL, pH 9.0