7QJO
Crystal structure of a cutinase enzyme from Marinactinospora thermotolerans DSM45154 (606)
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 | 2021-07-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.966, 45.354, 86.598 |
| Unit cell angles | 90.00, 108.19, 90.00 |
Refinement procedure
| Resolution | 82.269 - 1.933 |
| Rwork | 0.232 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wfj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.740 |
| 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] | 82.269 | 2.097 |
| High resolution limit [Å] | 1.933 | 1.933 |
| Rmerge | 0.253 | 1.343 |
| Rpim | 0.114 | 0.555 |
| Number of reflections | 29683 | 1485 |
| <I/σ(I)> | 5.5 | 1.4 |
| Completeness [%] | 91.6 | 52 |
| Redundancy | 5.9 | 6.7 |
| CC(1/2) | 0.988 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium HEPES pH 7.5, 70% (v/v) MPD |
