9VMW
The crystal structure of the Phthalate Hydrolase EstJ6 in complex with phthalic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 289 |
| Detector technology | PIXEL |
| Collection date | 2022-08-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.417, 120.758, 96.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.695 - 1.900 |
| R-factor | 0.1495 |
| Rwork | 0.148 |
| R-free | 0.18430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.004 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.840 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 35417 | 5114 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.4 | |
| CC(1/2) | 0.997 | 0.863 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 2.4 mol/L CH2(CO2Na)2 |
