2IQF
Crystal structure of Helicobacter pylori catalase compound I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.385, 154.286, 95.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.860 |
| R-factor | 0.15051 |
| Rwork | 0.148 |
| R-free | 0.18845 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qwl |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.555 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.950 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Number of reflections | 74135 | |
| <I/σ(I)> | 6.4 | 1.5 |
| Completeness [%] | 97.4 | 97.4 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 15% PEG MME550, 0.1M Sodium citrate, 10mM ZnSO4, 3mM Sodium azide, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
