4X6G

Full-length OxyR C199D 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	2014-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	81.636, 151.129, 141.581
Unit cell angles	90.00, 97.28, 90.00

Refinement procedure

Resolution	19.965 - 2.000
R-factor	0.1882
Rwork	0.186
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.496
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	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	172391
<I/σ(I)>	13.2
Completeness [%]	95.3	89.4
Redundancy	4.2	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	287.15	0.2M Sodium citrate tribasic (pH 8.3), 14% PEG 3350, 2mM TCEP