6THT
High resolution crystal structure of a Leaf-branch compost cutinase quintuple variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 63 |
| Unit cell lengths | 109.413, 109.413, 35.183 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 94.750 - 1.140 |
| R-factor | 0.1143 |
| Rwork | 0.113 |
| R-free | 0.13650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eb0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.844 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.750 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 1.051 | |
| Rmeas | 0.102 | |
| Rpim | 0.364 | |
| Number of reflections | 87457 | 4356 |
| <I/σ(I)> | 11.2 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.5 | 9.2 |
| CC(1/2) | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 285 | 0.1 M Imidazole, 1 M Sodium Citrate |
