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 |
