7YII
Carboxylesterase - RoCE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 18-ID |
| Synchrotron site | APS |
| Beamline | 18-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-11-10 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.677, 90.472, 131.358 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.340 - 1.780 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rnc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.789 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.340 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.029 | 0.010 |
| Number of reflections | 55437 | 2642 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 98.5 | |
| Redundancy | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M Bis-Tris buffer (pH 6.5), 25% PEG 300 (w/v) |
