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 |