6CJ3

CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND PYRUVATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	91.992, 91.992, 221.137
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.730
R-factor	0.1944
Rwork	0.193
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6chu
RMSD bond length	0.006
RMSD bond angle	0.782
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.758
High resolution limit [Å]	1.730	1.730
Rmerge	0.064
Number of reflections	72884
<I/σ(I)>	17.3
Completeness [%]	100.0
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	magnesium chloride, pyruvate, sodium acetate