6RJ8
Structure of the alpha-beta hydrolase CorS from Tabernathe iboga
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 | 2017-04-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 82.838, 82.838, 247.556 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 71.740 - 1.420 |
| R-factor | 0.1557 |
| Rwork | 0.154 |
| R-free | 0.18160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o7r |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | DIALS (1.5.0) |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 71.740 | 71.740 | 1.440 |
| High resolution limit [Å] | 1.420 | 7.780 | 1.420 |
| Rmerge | 0.140 | 0.060 | 1.760 |
| Rmeas | 0.142 | 0.061 | 1.784 |
| Rpim | 0.023 | 0.011 | 0.287 |
| Total number of observations | 3543087 | 21761 | 175399 |
| Number of reflections | 95612 | 757 | 4646 |
| <I/σ(I)> | 10.4 | 15.3 | 2.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 37.1 | 28.7 | 37.8 |
| CC(1/2) | 0.999 | 0.999 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | NULL |
