3C57

Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR C-terminal Domain Crystal Form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	39.637, 47.400, 66.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.580 - 1.700
R-factor	0.1894
Rwork	0.189
R-free	0.20612
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DosR C-terminal domain (pdb code 1ZLJ) subunit A residues 152-192
RMSD bond length	0.012
RMSD bond angle	1.330
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	14128
<I/σ(I)>	19.3	2.2
Completeness [%]	98.5
Redundancy	6.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	24% w/v PEG 5000mme, 0.2M ammonium sulfate, 10% glycerol, 0.1M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K