9FBN
Dye-decolourising peroxidase DtpB XRPP experiment (1000 kGy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2022-11-24 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.1264 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.054, 122.576, 200.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.800 - 1.800 |
| R-factor | 0.2257 |
| Rwork | 0.224 |
| R-free | 0.26230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.279 |
| 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] | 38.800 | 1.847 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 198117 | 13779 |
| <I/σ(I)> | 10.4 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 99.7 | 99 |
| CC(1/2) | 0.983 | 0.410 |
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 |
