5D1R

Crystal structure of Mycobacterium tuberculosis Rv1816 transcriptional regulator.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	40.444, 86.533, 129.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.048 - 2.000
R-factor	0.1798
Rwork	0.177
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB2OI8
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.064	0.040	0.413
Rmeas	0.070	0.044	0.449
Rpim	0.028	0.018	0.175
Total number of observations	200570
Number of reflections	31622
<I/σ(I)>	12.9
Completeness [%]	99.9	99.8	100
Redundancy	6.3	5.9	6.5
CC(1/2)		0.997	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Ammonium Sulfate, sodium cacodylate, magnesium sulfate,