4PXI

Elucidation of the Structural and Functional Mechanism of Action of the TetR Family Protein, CprB from S. coelicolor A3(2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-08
Detector	MAR 225 CCD detector
Wavelength(s)	0.98
Spacegroup name	P 32
Unit cell lengths	149.060, 149.060, 69.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.900 - 3.200
R-factor	0.22299
Rwork	0.220
R-free	0.29433
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ui5
RMSD bond length	0.011
RMSD bond angle	1.823
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	CNS
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	129.089	60.901	3.370
High resolution limit [Å]	3.200	10.120	3.200
Rmerge		0.091	0.525
Number of reflections	28269
<I/σ(I)>	6.4	5.6	1.5
Completeness [%]	99.6	99.5	98.6
Redundancy	3.9	4.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	MgCl2-6H2O, 0.05M Tris-HCl pH7.5, 10% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K