3GW2

Crystal structure of possible transcriptional regulatory protein (fragment 1-100) from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR242E.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97900, 0.97928, 0.96785
Spacegroup name	P 64 2 2
Unit cell lengths	91.090, 91.090, 62.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.720 - 2.100
R-factor	0.23892
Rwork	0.238
R-free	0.25160
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.113
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.062	0.345
Number of reflections	16969
<I/σ(I)>	62.8	12.6
Completeness [%]	99.9	100
Redundancy	27.6	27.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5. Reservoir solution: 22% PEG 4000, 0.1M Bis-Tris pH 7.2, 0.1M NH4H2PO4, 20% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K