1QWL
Structure of Helicobacter pylori catalase
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 | 2002-06-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.264, 154.502, 95.762 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.000 - 1.600 |
R-factor | 0.18331 |
Rwork | 0.181 |
R-free | 0.21900 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Human erythrocyte catalase |
RMSD bond length | 0.020 |
RMSD bond angle | 1.800 * |
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] | 29.500 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 * | 0.137 * |
Number of reflections | 119258 * | 7699 * |
<I/σ(I)> | 13.6 | |
Completeness [%] | 94.4 | 87.3 |
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 NaN3, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | reservoir | PEG550 MME | 15 (%) | |
3 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
4 | 1 | reservoir | 10 (mM) | ||
5 | 1 | reservoir | 3 (mM) |