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 |