6J42
Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena
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 | IMAGE PLATE |
Collection date | 2018-05-15 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 102.070, 102.070, 138.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.586 - 2.492 |
R-factor | 0.2191 |
Rwork | 0.217 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r42 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.660 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.810 | 2.590 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.075 | 0.437 |
Rmeas | 0.083 | 0.479 |
Number of reflections | 25862 | 2855 |
<I/σ(I)> | 13.9 | 2.8 |
Completeness [%] | 98.5 | 98.8 |
Redundancy | 5.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG 400, PEG 8000, Calcium Acetate, 100 mM Imidazole |