5JKF
Crystal structure of esterase E22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.295, 67.682, 165.417 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.749 - 2.393 |
R-factor | 0.1779 |
Rwork | 0.174 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i1i |
RMSD bond length | 0.008 |
RMSD bond angle | 0.954 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.750 | 2.478 |
High resolution limit [Å] | 2.393 | 2.393 |
Rmerge | 0.116 | |
Number of reflections | 24115 | |
<I/σ(I)> | 27.13 | |
Completeness [%] | 90.5 | |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.1M CHES (pH 9.5), 16% (w/v) PEG 8000 |