2NYX

Crystal structure of RV1404 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	51.262, 54.747, 227.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.300
R-factor	0.231
Rwork	0.229
R-free	0.27300
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.577
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.146	0.077	0.546
Number of reflections	25743
<I/σ(I)>	7
Completeness [%]	87.8	100	38.5
Redundancy	9.2	11.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	22.0% PEG 3350, 0.2 M Potassium Thiocyanate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	22.0% PEG 3350, 0.2 M Potassium Thiocyanate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	22.0% PEG 3350, 0.2 M Potassium Thiocyanate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K