9J8I
Mutant of a deep sea bacterial PET hydrolase MtCut
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-19 |
| Detector | STFC Large Pixel Detector |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 187.940, 187.940, 132.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.530 - 2.720 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.23238 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.805 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.530 | 2.790 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.328 | 3.448 |
| Rmeas | 0.332 | 3.486 |
| Rpim | 0.051 | 0.517 |
| Total number of observations | 210848 | |
| Number of reflections | 63825 | 4664 |
| <I/σ(I)> | 14.6 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 42.4 | 45.2 |
| CC(1/2) | 0.996 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 800 mM (NH4)2SO4, 100 mM Sodium citrate/Citric acid pH4.0 |
