6SDA
Bd2924 C10 acyl-coenzymeA bound form
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 | 2017-05-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97612 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 126.266, 134.647, 133.179 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.052 - 1.870 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.182 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 133.180 | 133.180 | 1.970 |
| High resolution limit [Å] | 1.869 | 5.910 | 1.870 |
| Rmerge | 0.073 | 0.041 | 0.766 |
| Rmeas | 0.076 | 0.043 | 0.802 |
| Rpim | 0.021 | 0.012 | 0.234 |
| Total number of observations | 38841 | 156658 | |
| Number of reflections | 93777 | 3181 | 13589 |
| <I/σ(I)> | 19.3 | 49.6 | 2.5 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 13.1 | 12.2 | 11.5 |
| CC(1/2) | 0.999 | 0.999 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.1M MIB buffer (malonate, imidazole, boric acid) pH 6 25% PEG 1500 |
