1P7Z
Crystal structure of the D181S 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 | 93.340, 132.880, 121.450 |
| Unit cell angles | 90.00, 109.40, 90.00 |
Refinement procedure
| Resolution | 29.800 - 2.200 * |
| R-factor | 0.148 |
| Rwork | 0.144 |
| R-free | 0.21600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.000 |
| 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 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.330 |
| Number of reflections | 138759 * | 11109 * |
| <I/σ(I)> | 8.5 | 2.8 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 3.5 | 3.4 |
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 |
