5BOV
Crystal structure of a putative epoxide hydrolase (KPN_01808) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.60 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-26 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97907 |
Spacegroup name | P 1 |
Unit cell lengths | 44.199, 81.866, 89.925 |
Unit cell angles | 101.00, 106.90, 100.84 |
Refinement procedure
Resolution | 42.848 - 1.600 |
R-factor | 0.1498 |
Rwork | 0.148 |
R-free | 0.17390 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.785 |
Data reduction software | XDS |
Data scaling software | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.848 | 42.848 | 1.660 |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.078 | 0.032 | 0.655 |
Rmeas | 0.091 | 0.037 | 0.758 |
Total number of observations | 572981 | ||
Number of reflections | 146333 | 15045 | 15055 |
<I/σ(I)> | 11.66 | 30.6 | 2 |
Completeness [%] | 96.8 | 98.8 | 95.2 |
Redundancy | 3.916 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M bicine pH 9, 30% polyethylene glycol 6000 |