6ERC
Peroxidase A from Dictyostelium discoideum (DdPoxA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 128.253, 128.253, 146.015 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.672 - 2.500 |
| R-factor | 0.228760684094 |
| Rwork | 0.228 |
| R-free | 0.25674 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.547 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.672 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.315 | 4.140 |
| Rmeas | 0.332 | 4.372 |
| Rpim | 0.104 | 1.395 |
| Number of reflections | 48501 | 4813 |
| <I/σ(I)> | 7.64 | 0.6 |
| Completeness [%] | 99.9 | 99.98 |
| Redundancy | 10 | 9.7 |
| CC(1/2) | 0.995 | 0.298 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295.15 | 0.2 M BIS-TRIS, pH 5.5, 0.2 M MgSO4, 23.2% PEG 3350 |
