6I43
SFX Structure 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 | 72.720, 68.180, 74.620 |
| Unit cell angles | 90.00, 105.58, 90.00 |
Refinement procedure
| Resolution | 35.458 - 1.880 |
| R-factor | 0.1336 |
| Rwork | 0.132 |
| R-free | 0.16650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 5MAP |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.919 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.460 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Number of reflections | 57351 | |
| <I/σ(I)> | 9.6 | 1.73 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 381 | 212 |
| CC(1/2) | 0.993 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 291 | 1:1 ratio of a 6.5 mg/ml DtpAa protein solution with a precipitant solution containing 20% PEG 6000, 100 mM HEPES pH 7.0 |
