6KEU
Wildtype E53, a microbial HSL esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 70.605, 129.888, 221.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.490 - 1.990 |
R-factor | 0.1562 |
Rwork | 0.156 |
R-free | 0.17940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ypv |
RMSD bond length | 0.007 |
RMSD bond angle | 0.825 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MR-Rosetta |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.071 | 0.322 |
Number of reflections | 139433 | 13627 |
<I/σ(I)> | 27.42 | |
Completeness [%] | 99.8 | |
Redundancy | 1.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG MME550, Bis-Tris, Calcium chloride |