5K2I

Crystal structure of Oxidized Prx3 from Vibrio vulnificus

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]	100.15
Detector technology	CCD
Collection date	2015-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 21 21 21
Unit cell lengths	39.455, 57.443, 124.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.925 - 1.481
R-factor	0.1814
Rwork	0.181
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k1g
RMSD bond length	0.007
RMSD bond angle	1.140
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.510
High resolution limit [Å]	1.480	1.480
Rmerge	0.071
Number of reflections	48083
<I/σ(I)>	25.9
Completeness [%]	97.1
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	287.15	0.1 M sodium citrate, 0.2 M ammonium acetate, 22%(w/v) PEG 4000