4XWS

OxyR regulatory domain C199D mutant from pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97830
Spacegroup name	P 61
Unit cell lengths	129.942, 129.942, 135.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.991 - 3.006
R-factor	0.2318
Rwork	0.229
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.837
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.099
Number of reflections	25947
<I/σ(I)>	25.5
Completeness [%]	98.1	99.8
Redundancy	12.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.1M Tris-HCl(9.0), 22% PEG 4k, 5mM DTT, 5mM TCEP