8PWY
Dye-decolourising peroxidase DtpB (112 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 PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.771, 121.825, 199.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.070 - 1.800 |
| R-factor | 0.19954 |
| Rwork | 0.198 |
| R-free | 0.22287 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.923 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.070 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 195649 | 9620 |
| <I/σ(I)> | 2.06 | |
| Completeness [%] | 100.0 | |
| Redundancy | 68.1 | |
| CC(1/2) | 0.979 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 6.2 mg/mL of protein in 20mM NaPi, 150mM NaCl pH 7 was mixed with 125 mM MgCl2, 125 mM HEPES, 18% PEG 4000 pH 7.5 |
