4PAE
Crystal structure of catalase-peroxidase (KatG) W78F mutant from Synechococcus elongatus PCC7942
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.900 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 107.673, 107.673, 204.788 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.270 - 3.206 |
R-factor | 0.18387 |
Rwork | 0.180 |
R-free | 0.25956 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.525 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.310 |
High resolution limit [Å] | 3.206 | 3.206 |
Number of reflections | 20400 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 277 | SODIUM FORMATE |