3BJA

Crystal structure of putative MarR-like transcription regulator (NP_978771.1) from Bacillus cereus ATCC 10987 at 2.38 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94939, 0.97953, 0.97939
Spacegroup name	P 43 21 2
Unit cell lengths	71.321, 71.321, 65.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.337 - 2.380
R-factor	0.234
Rwork	0.233
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.549
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.337	48.337	2.460
High resolution limit [Å]	2.380	5.100	2.380
Rmerge	0.061	0.034	0.879
Number of reflections	7225	804	678
<I/σ(I)>	16.25	36.9	2.2
Completeness [%]	99.7	97.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 24.9% PEG 3350, 0.214M Potassium nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K