9GTA
Reprocessing and re-refinement of Damage Free Ferric State of Dye Type Peroxidase Aa from Streptomyces lividans
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 | 2017-10-11 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.700, 68.200, 74.600 |
| Unit cell angles | 90.00, 105.60, 90.00 |
Refinement procedure
| Resolution | 35.476 - 1.860 |
| Rwork | 0.145 |
| R-free | 0.17220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.579 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Number of reflections | 59164 | 2921 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 392 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | PEG 6K, HEPES 7.0 |
