2W3D

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	35.671, 86.963, 101.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.430 - 2.000
R-factor	0.21584
Rwork	0.213
R-free	0.27850
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.175
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Rmerge	0.120
Number of reflections	40262
<I/σ(I)>	16.2
Completeness [%]	98.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				17% PEG6000, 0.2M CALCIUM CHLORIDE IN TRIS-HCL, PH 7.0