2A9E
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) | 0.9795 |
| 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 - 1.760 |
| R-factor | 0.13922 |
| Rwork | 0.137 |
| R-free | 0.17790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qwl |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.067 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.810 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 92078 | |
| <I/σ(I)> | 5.6 | 0.8 |
| Completeness [%] | 96.6 | 92.2 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 15% PEG MME 550, 0.1 M sodium citrate, 10 mM ZnSO4, 3 mM sodium azide, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
