7C85
Esterase AlinE4 mutant-S13A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2018-05-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 79.810, 79.810, 60.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 1.750 |
| Rwork | 0.121 |
| R-free | 0.17740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jgg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.728 |
| Data reduction software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.900 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.049 | 0.104 |
| Number of reflections | 20382 | 1988 |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 1M Sodium acetate, 100mM HEPES, pH 7.5, 50mM Cadmium sulfate |
