6YRD
SFX structure of dye-type peroxidase DtpB 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 | 2019-06-26 |
| Detector | MPCCD |
| Wavelength(s) | 1.13 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.300, 120.000, 198.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.000 - 1.750 |
| R-factor | 0.1682 |
| Rwork | 0.167 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unpublished structure |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.626 |
| Data reduction software | CrystFEL (0.6.3) |
| Data scaling software | CrystFEL (0.6.3) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 207440 | 10274 |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1943 | |
| CC(1/2) | 0.984 | 0.423 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | 6-10 mg/mL of protein in 50mM Sodium acetate, 150mM NaCl pH 5 was mixed with 150 mM MgCl2, 150 mM HEPES, 20% PEG 4000 pH 7.5 |
