6KMM
Crystal Structure of HEPES bound 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 | 79.837, 101.905, 105.405 |
| Unit cell angles | 88.00, 76.43, 83.28 |
Refinement procedure
| Resolution | 69.910 - 1.930 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4grc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.789 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.910 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 223932 | 10799 |
| <I/σ(I)> | 9.6 | 2.2 |
| Completeness [%] | 92.8 | 89.4 |
| Redundancy | 6.5 | |
| CC(1/2) | 0.990 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 26% MPD, 0.05 M HEPES |
