7W1I
Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.744, 110.236, 53.418 |
| Unit cell angles | 90.00, 106.42, 90.00 |
Refinement procedure
| Resolution | 24.270 - 1.670 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ogs |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 56837 | 5459 |
| <I/σ(I)> | 17 | |
| Completeness [%] | 98.7 | |
| Redundancy | 7.4 | |
| CC(1/2) | 0.994 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 25 % Poly (acrylic acid sodium salt) 5100, 0.02 M MgCl2, 0.1 M HEPES |
