4LOM

Crystal Structure of Mycobacterium tuberculosis HisB in complex with its substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 4 3 2
Unit cell lengths	112.514, 112.514, 112.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 - 2.100
R-factor	0.19863
Rwork	0.196
R-free	0.24909
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gqu
RMSD bond length	0.006
RMSD bond angle	1.192
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.510
High resolution limit [Å]	2.100
Number of reflections	14776
Completeness [%]	99.7

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, 4mM Imidazole Glycerol Phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K