9M85

Crystal Structure of R121K 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	2013-11-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 4 3 2
Unit cell lengths	112.342, 112.342, 112.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.430 - 1.830
R-factor	0.1634
Rwork	0.162
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.912
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.900
High resolution limit [Å]	1.830	1.830
Number of reflections	22000	2127
<I/σ(I)>	42.39
Completeness [%]	99.9
Redundancy	23.8
CC(1/2)	1.000	0.429

Crystallization Conditions

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