4ESB

Crystal structure of PadR-like transcriptional regulator (BC4206) from Bacillus cereus strain ATCC 14579

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 41 21 2
Unit cell lengths	73.536, 73.536, 84.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.498 - 2.500
R-factor	0.2023
Rwork	0.201
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhh
RMSD bond length	0.003
RMSD bond angle	0.702
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.220	44.220	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge	0.074	0.023	0.611
Number of reflections	8474
<I/σ(I)>	20.6	62	2.9
Completeness [%]	100.0	99.1	100
Redundancy	7.7	6.2	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.17 M ammonium sulfate, 25.5% PEG 4000, 15% glycerol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K