1QWS
Structure of the D181N 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 | 2003-07-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.434, 132.881, 122.098 |
| Unit cell angles | 90.00, 109.66, 90.00 |
Refinement procedure
| Resolution | 28.000 - 1.900 |
| R-factor | 0.16727 |
| Rwork | 0.164 |
| R-free | 0.22046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.634 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.810 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 218251 | |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 99.5 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 15% PEG 3350, 1.6M LiCl, 0.1M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
