7C84
Esterase AlinE4 mutant, D162A
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 | 2017-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.06881 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 79.810, 79.810, 60.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.420 - 1.552 |
| Rwork | 0.114 |
| R-free | 0.15380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jgg |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.911 |
| Data reduction software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.420 | 1.607 |
| High resolution limit [Å] | 1.552 | 1.552 |
| Rmerge | 0.096 | 0.262 |
| Number of reflections | 29037 | 2859 |
| <I/σ(I)> | 32.71 | |
| 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 |
