1NXJ

Structure of Rv3853 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2001-07-20
Detector	MARRESEARCH
Wavelength(s)	0.84520
Spacegroup name	P 63
Unit cell lengths	102.462, 102.462, 117.494
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 1.900
Rwork	0.190
R-free	0.22000 *
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	24.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.069	0.312
Number of reflections	54630 *
<I/σ(I)>	14.4	3.1
Completeness [%]	99.3	96.1
Redundancy	3.35 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	18 *	0.45M sodium potassium tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)
2	1	drop		140 (mM)	pH8.0
3	1	drop	protein	2 (mg/ml)
4	1	reservoir	potassium/sodium tartrate tetrahydrate	0.45 (M)