8WMP

Crystal Structure of Mutant HisB from Mycobacterium tuberculosis

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	2023-08-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 4 3 2
Unit cell lengths	112.537, 112.537, 112.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.530 - 1.750
R-factor	0.1502
Rwork	0.149
R-free	0.16930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6khh
RMSD bond length	0.017
RMSD bond angle	1.438
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	25208	2467
<I/σ(I)>	45.4
Completeness [%]	100.0
Redundancy	44.1
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 1500, sodium citrate tribasic dehydrate, tris HCl