9EWJ
Dye-decolourising peroxidase DtpB (224 kGy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-09-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.850, 121.896, 199.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.110 - 1.920 |
| R-factor | 0.2098 |
| Rwork | 0.208 |
| R-free | 0.24509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.570 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.110 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 161825 | 11231 |
| <I/σ(I)> | 1.83 | |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 78.3 | 12.5 |
| CC(1/2) | 0.980 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | 6.2 mg/mL of protein in 20 mM NaPi, 150 mM NaCl pH 7 was mixed with 125 mM MgCl2, 125 mM HEPES, 18% PEG 4000 pH 7.5 |
