9VMR
Crystal structure of Phthalate Hydrolase EstJ6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-30 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.297, 120.861, 97.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.160 - 1.760 |
| R-factor | 0.15136 |
| Rwork | 0.150 |
| R-free | 0.17775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.828 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 37718 | 1878 |
| <I/σ(I)> | 28.45 | |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 13.2 | 11.8 |
| CC(1/2) | 0.991 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 1.6 mol/L (NH4)2SO4, 0.1 mol/L HEPES (pH 6.6), and 0.5% (w/v) PEG 8000 |
