5W5A

Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-07
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	51.615, 92.244, 102.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.254 - 1.850
R-factor	0.1762
Rwork	0.174
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.270
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.069	0.056	0.542
Total number of observations	190220
Number of reflections	42688
<I/σ(I)>	11.3
Completeness [%]	99.9	99.2	98.2
Redundancy	4.5	4.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	20% PEG 3350, 0.2M potassium sulphate