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 |