3GKB
Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97958 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.461, 87.502, 154.447 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.20600 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.399 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | SHELXCD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.224 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.107 | 0.259 |
Number of reflections | 74217 | |
<I/σ(I)> | 12.5 | 5.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 294 | 100mM Sodium acetate pH 5.0, 33% PEG 4000, 200mM Ammonium acetate, VAPOR DIFFUSION, temperature 294K |