3OXH

Mycobacterium tuberculosis kinase inhibitor homolog RV0577

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-09
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 2
Unit cell lengths	81.597, 81.981, 36.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.178
Rwork	0.176
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.350
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.073	0.560
Number of reflections	25186
<I/σ(I)>	23.125	2.04
Completeness [%]	99.7	98.9
Redundancy	7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	291	1.1M NACITRATE, 4% BUTANOL, MES, PH 6.75, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
1	VAPOR DIFFUSION, HANGING DROP	6.75	291	1.1M NACITRATE, 4% BUTANOL, MES, PH 6.75, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K