5U8Z
Structure of Fe-CAO1 in complex with beta-fluororesveratrol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 101.037, 101.037, 448.622 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.280 - 1.900 |
| R-factor | 0.18318 |
| Rwork | 0.182 |
| R-free | 0.21346 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u8x |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.549 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.280 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.170 | 2.100 |
| Number of reflections | 205626 | |
| <I/σ(I)> | 11.9 | 0.96 |
| Completeness [%] | 97.7 | 88.5 |
| Redundancy | 9.7 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281 | Sodium polyacrylate/HEPES pH 6.5 |
