2Z76

X-ray crystal structure of RV0760c from Mycobacterium tuberculosis at 1.82 Angstrom resolution

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	2005-12-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	47.313, 80.120, 86.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.820
R-factor	0.20364
Rwork	0.202
R-free	0.23541
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a15
RMSD bond length	0.014
RMSD bond angle	1.455
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.820	1.820
Number of reflections	28871
<I/σ(I)>	26.4	2.27
Completeness [%]	96.2	88.6
Redundancy	3.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	295	8% PEG 8000, 0.1M Sodium acetate, 0.02% LDAO, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K