3K3D

The N-terminal PAS domain crystal structure of RV1364C from Mycobacterium Tuberculosis at 2.3 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.972
Spacegroup name	P 62 2 2
Unit cell lengths	60.137, 60.137, 171.948
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.251
Rwork	0.243
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MODEL BUILT FROM SELENIUM MAD
RMSD bond length	0.011
RMSD bond angle	1.315
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.733
Number of reflections	8731
<I/σ(I)>	39	4.62
Completeness [%]	100.0	100
Redundancy	21.3	22.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292.16	1.4 M AMMONIUM SULFATE, 0.1 M TRIS- HCL, 0.1 M SODIUM CHLORIDE, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 292.16K