8PXQ
SFX Ferric structure of Y389F variant of A type dye-decolourising peroxidase DtpAa
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 | 2022-05-11 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.13 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.567, 68.140, 74.800 |
| Unit cell angles | 90.00, 105.50, 90.00 |
Refinement procedure
| Resolution | 48.850 - 1.700 |
| R-factor | 0.1688 |
| Rwork | 0.167 |
| R-free | 0.20502 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.924 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.850 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 73582 | 5386 |
| <I/σ(I)> | 3.13 | |
| Completeness [%] | 100.0 | |
| Redundancy | 70.4 | |
| CC(1/2) | 0.879 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 293 | 1:1 v/v ratio of a solution containing 6.2 mg/ml Y389F DtpAa in 20 mM sodium phosphate, 150 mM NaCl pH 7 with a precipitant solution consisting of 100 mM HEPES pH 7 and 15% PEG 6000 to give a final volume of 400 ul. |
