2VZW

X-ray structure of the heme-bound GAF domain of sensory histidine kinase DosT of Mycobacterium tuberculosis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-29
Detector	ADSC CCD
Wavelength(s)	1.11587, 1.73989, 1.65312
Spacegroup name	P 43
Unit cell lengths	87.924, 87.924, 66.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.050 - 2.300
R-factor	0.23908
Rwork	0.236
R-free	0.28980
Structure solution method	MAD
Starting model (for MR)	NONE
RMSD bond length	0.022
RMSD bond angle	2.288
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	ELVES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.490
Number of reflections	22939
<I/σ(I)>	47	4.6
Completeness [%]	100.0	99.8
Redundancy	7.9	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		50% TACSIMATE, PH 6.0