7QZE
SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 301 |
| Detector technology | CCD |
| Collection date | 2021-06-12 |
| Detector | MPCCD |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.520, 120.900, 197.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.000 - 1.900 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yrj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.607 |
| Data reduction software | CrystFEL (0.10.00) |
| Data scaling software | CrystFEL (0.10.00) |
| Phasing software | REFMAC (5.8.0267) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 163211 | 16133 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1510 | |
| CC(1/2) | 0.968 | 0.282 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | 6.2 mg/mL of protein in 20mM Sodium phosphate, 125mM NaCl pH 7 mixed with 125 mM MgCl2, 125 mM HEPES, 18% PEG 4000, pH 7.5 |
