4YWF
AbyA5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97957 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.080, 87.180, 47.910 |
| Unit cell angles | 90.00, 101.63, 90.00 |
Refinement procedure
| Resolution | 36.390 - 2.000 |
| R-factor | 0.21883 |
| Rwork | 0.218 |
| R-free | 0.23643 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.817 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.390 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.065 | 0.290 |
| Number of reflections | 25075 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.02M magnesium chloride, 0.1M HEPES, 22% w/v polyacrylic acid 5100 sodium salt, pH 7.5 |






