5WHQ
Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.9 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.85 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.306, 115.648, 123.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.270 - 2.900 |
R-factor | 0.2277 |
Rwork | 0.224 |
R-free | 0.29660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i05 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.653 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.270 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.075 | 0.590 |
Number of reflections | 30732 | |
<I/σ(I)> | 5.2 | 2.4 |
Completeness [%] | 97.3 | 94.2 |
Redundancy | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 291 | 0.2 M calcium acetate, 20% PEG3350 |