1P81
Crystal structure of the D181E variant of catalase HPII from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.380, 132.860, 122.040 |
| Unit cell angles | 90.00, 109.50, 90.00 |
Refinement procedure
| Resolution | 29.900 - 1.800 * |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.900 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.096 | 0.410 |
| Number of reflections | 251911 * | 20645 * |
| <I/σ(I)> | 7.5 | 1.3 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 22 * | PEG 3350, LiCl, Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3350 | 15-17 (%) | |
| 2 | 1 | reservoir | 1.6-1.7 (M) | ||
| 3 | 1 | reservoir | Tris | 0.1 (M) | pH9.0 |
