8AIR
Crystal structure of cutinase RgCutII from Rhizobacter gummiphilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 63.127, 63.127, 222.746 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.076 - 1.080 |
| Rwork | 0.198 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cg1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.841 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.080 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.068 | 0.774 |
| Rpim | 0.024 | 0.440 |
| Number of reflections | 112681 | 5357 |
| <I/σ(I)> | 11.7 | 1.8 |
| Completeness [%] | 99.4 | 96.3 |
| Redundancy | 8.7 | 6 |
| CC(1/2) | 0.999 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.5, 1 M sodium acetate |
