4ESF

Crystal structure of PadR-like transcriptional regulator (BCE3449) from Bacillus cereus strain ATCC 10987

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 43 21 2
Unit cell lengths	43.945, 43.945, 120.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.268 - 2.200
R-factor	0.2233
Rwork	0.218
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhh
RMSD bond length	0.010
RMSD bond angle	1.010
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]	43.940	43.940	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.042	0.024	0.511
Number of reflections	6500
<I/σ(I)>	27.9	67.6	3.3
Completeness [%]	99.7	99.3	98.1
Redundancy	7.7	5.9	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M imidazole, 9% (w/v) PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K