9FC1
Dye-decolourising peroxidase DtpB mixed with hydrogen peroxide for 6.7 s
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | PAL-XFEL BEAMLINE NCI |
| Synchrotron site | PAL-XFEL |
| Beamline | NCI |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2022-06-26 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.3042 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.891, 121.661, 199.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.250 - 1.960 |
| R-factor | 0.17012 |
| Rwork | 0.169 |
| R-free | 0.19977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.766 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.250 | 2.011 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 186481 | 10553 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 116.3 | |
| CC(1/2) | 0.999 | 0.250 |
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 |
