1P80
Crystal structure of the D181Q variant of catalase HPII from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.760, 133.130, 122.500 |
| Unit cell angles | 90.00, 109.50, 90.00 |
Refinement procedure
| Resolution | 29.800 - 1.650 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.008 |
| 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] | 29.800 * | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.107 | 0.440 |
| Number of reflections | 323591 * | 23749 * |
| <I/σ(I)> | 10.6 | 2.9 |
| Completeness [%] | 96.0 | 79.4 |
| Redundancy | 2.9 | 2.1 |
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 298.0K |
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 |
