9X6A
carboxylesterase EstC
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 | 2024-10-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.480, 108.270, 184.320 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 27.370 - 2.060 |
| R-factor | 0.21343 |
| Rwork | 0.212 |
| R-free | 0.24784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.561 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.370 | 2.110 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Number of reflections | 114400 | 8357 |
| <I/σ(I)> | 8.8 | 2.4 |
| Completeness [%] | 99.5 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.986 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Sodium chloride, 0.1 M HEPES pH 7.5, |
