6BY0
Crystal structure of catalase HPII from E. coli in space group P1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.337, 90.141, 114.764 |
| Unit cell angles | 107.10, 105.60, 95.98 |
Refinement procedure
| Resolution | 49.390 - 2.930 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vu3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE (SIMBAD) |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.390 | 3.020 |
| High resolution limit [Å] | 2.930 | 2.930 |
| Rmerge | 0.174 | 0.506 |
| Number of reflections | 53296 | 4616 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 98.8 | |
| Redundancy | 6 | |
| CC(1/2) | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.085 M sodium HEPES pH 7.5, 17% w/v PEG 4000, 15% v/v glycerol, 8.5% v/v isopropanol or 0.1 M HEPES pH 7.0, 20% w/v PEG 6000, 1.0 M lithium chloride |
