4ME9

Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97917,0.91837,0.97845
Spacegroup name	P 41
Unit cell lengths	73.540, 73.540, 96.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.002 - 2.500
R-factor	0.2072
Rwork	0.205
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.930
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.002	26.002	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge		0.040	0.850
Total number of observations		776	4683
Number of reflections	17497
<I/σ(I)>	9	29.1	1.6
Completeness [%]	98.4	92.1	99
Redundancy	3.6	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.4M KH2PO4, 1.6M NaH2PO4, 0.1M Phosphate Citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K