5X0O
Regulatory domain of AphB treated with Cumene hydroperoxide 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 |
Detector technology | CCD |
Collection date | 2015-06-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97960 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 124.844, 189.418, 57.424 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.696 - 2.402 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.25620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fhk |
RMSD bond length | 0.003 |
RMSD bond angle | 0.556 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.122 | 0.433 |
Number of reflections | 51444 | |
<I/σ(I)> | 13.44 | 2.95 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 8.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 0.1M HEPES (pH 7.5), 15% PEG 8000, 10% ethylene glycol |