28WU
Crystal Structure of Catalase HPII (KatE) from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.664, 136.795, 122.299 |
| Unit cell angles | 90.00, 112.42, 90.00 |
Refinement procedure
| Resolution | 41.235 - 2.500 |
| R-factor | 0.1597 |
| Rwork | 0.156 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.001 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.235 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.143 | 0.654 |
| Number of reflections | 92488 | 4690 |
| <I/σ(I)> | 7 | 2.2 |
| Completeness [%] | 94.6 | 96.5 |
| Redundancy | 2.4 | 2.4 |
| CC(1/2) | 0.978 | 0.614 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 293 | 0.1M Bis-Tris-Propane pH 7.75, 0.2M Na-acetate, 20% PEG3350. |
