4R42
Crystal structure of KatB, a manganese catalase from Anabaena PCC7120
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-15 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 101.404, 101.404, 136.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.349 - 1.902 |
| R-factor | 0.1358 |
| Rwork | 0.134 |
| R-free | 0.15990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1701) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.136 | 2.020 |
| High resolution limit [Å] | 1.902 | 1.902 |
| Number of reflections | 56257 | |
| Completeness [%] | 99.8 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG 400, 100mM imidazole , 200mM calcium acetate, pH 8.0, vapor diffusion, hanging drop, temperature 298K |
