6I7C
Dye type peroxidase Aa from Streptomyces lividans: imidazole complex
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 | 2017-10-10 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.480, 68.030, 73.530 |
| Unit cell angles | 90.00, 105.57, 90.00 |
Refinement procedure
| Resolution | 35.295 - 1.880 |
| R-factor | 0.1404 |
| Rwork | 0.139 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5map |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.224 | |
| Number of reflections | 56220 | |
| <I/σ(I)> | 5.7 | 1.54 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 102 | |
| CC(1/2) | 0.960 | 0.600 |
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 precipitant solution containing 20% PEG 6000, 100 mM HEPES pH 7.0 |
