2W3E

Oxidized structure of the first GAF domain of Mycobacterium tuberculosis DosS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	36.000, 86.865, 100.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.560 - 1.600
R-factor	0.20132
Rwork	0.200
R-free	0.23404
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.427
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Rmerge	0.070
Number of reflections	41345
<I/σ(I)>	26
Completeness [%]	96.8
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% PEG4000 AND 0.2 M CALCIUM CHLORIDE IN TRIS-HCL, PH 7.0