7DNQ

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	2020-12-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 4 3 2
Unit cell lengths	112.100, 112.100, 112.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.041 - 2.280
Rwork	0.159
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gqu
RMSD bond length	0.009
RMSD bond angle	1.538
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	2.360
High resolution limit [Å]	2.280	2.280
Number of reflections	11541	1101
<I/σ(I)>	21.58
Completeness [%]	99.9
Redundancy	29.3
CC(1/2)	0.940	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	20% PEG 1500, 0.2M sodium citrate tribasic dehydrate, 0.1M Tris HCL, pH 9.0