9UGK

Crystal Structure of Rv0866 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2009-10-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	46.419, 61.388, 90.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.056 - 2.200
R-factor	0.2087
Rwork	0.205
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wp4
RMSD bond length	0.001
RMSD bond angle	0.380
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.042
Rmeas	0.071	0.043
Rpim	0.016	0.011
Number of reflections	13523	694
<I/σ(I)>	21.7
Completeness [%]	99.9	91.8
Redundancy	11.8	7.9
CC(1/2)		0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	50% MPD,10% dioxane, 0.1M HEPES pH 7.5