7PP7
Thunberia alata 16:0-ACP desaturase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-22 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 51.507, 76.172, 83.171 |
| Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
| Resolution | 55.590 - 2.050 |
| R-factor | 0.2018 |
| Rwork | 0.198 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uw1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.702 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.590 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.135 | 0.696 |
| Number of reflections | 19684 | 1509 |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.6 | 3.8 |
| CC(1/2) | 0.992 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.25M CaCl2, 0.1M Tris pH 8.0 and 16% PEG 6000) |
