5B5L
Crystal structure of acetyl esterase mutant S10A with acetate ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-11 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.589, 64.589, 89.644 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.12359 |
| Rwork | 0.121 |
| R-free | 0.17386 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b5s |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.262 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.083 | 0.373 |
| Number of reflections | 42027 | |
| <I/σ(I)> | 43.8 | 4.4 |
| Completeness [%] | 97.4 | |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEGME 550, zinc sulfate, MES |
