5WHS
Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.6 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-30 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.810, 142.350, 183.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 112.380 - 2.600 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i05 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.959 |
| 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] | 112.380 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.069 | 0.590 |
| Number of reflections | 58654 | |
| <I/σ(I)> | 8.6 | 2.8 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 6.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 9% PEG 8,000, 225 mM magnesium chloride and 100 mM Tris-HCl, pH 7.0 |
