1Q7T

Rv1170 (MshB) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	71.690, 83.740, 95.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.19
Rwork	0.190
R-free	0.21400 *
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.220 *
Data reduction software	DENZO
Data scaling software	XDS
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.065 *	0.216 *
Total number of observations	324835 *
Number of reflections	44945 *
<I/σ(I)>	17.83
Completeness [%]	97.6 *	94.3 *
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	291	McCarthy, A.A., (2003) Acta Cryst., D59, 2316. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	24-27 (%)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	sodium cacodylate	100 (mM)	pH6.1
4	1	drop	protein	10 (mg/ml)
5	1	drop	HEPES	10 (mM)	pH7.5