6KMN
Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-28 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 1 |
Unit cell lengths | 58.841, 71.176, 101.014 |
Unit cell angles | 69.59, 83.58, 80.56 |
Refinement procedure
Resolution | 48.150 - 2.440 |
R-factor | 0.178 |
Rwork | 0.175 |
R-free | 0.24280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kmm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.636 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.150 | 2.480 |
High resolution limit [Å] | 2.440 | 2.440 |
Number of reflections | 52522 | 2534 |
<I/σ(I)> | 11.2 | 2.1 |
Completeness [%] | 93.3 | 90.5 |
Redundancy | 9.7 | 9.5 |
CC(1/2) | 0.990 | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 25% MPD, 0.05 M HEPES |