7QJQ
Crystal structure of a cutinase enzyme from Thermobifida fusca NTU22 (702)
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 | 2021-01-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.346, 79.753, 120.133 |
| Unit cell angles | 86.28, 87.94, 89.50 |
Refinement procedure
| Resolution | 119.800 - 1.640 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zoa |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.632 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 119.804 | 1.748 |
| High resolution limit [Å] | 1.637 | 1.637 |
| Rmerge | 0.090 | 0.772 |
| Rpim | 0.055 | 0.481 |
| Number of reflections | 140392 | 7020 |
| <I/σ(I)> | 9 | 1.5 |
| Completeness [%] | 89.5 | 53.6 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.998 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 20 % PEG 3350, 0.2 M sodium sulfate, 0.1 M Bis-Tris propane pH 6.5 |
