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 |