3V48
Crystal Structure of the putative alpha/beta hydrolase RutD from E.coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.597, 79.597, 161.753 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.17188 |
Rwork | 0.169 |
R-free | 0.22565 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.492 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.352 | |
Number of reflections | 31045 | |
<I/σ(I)> | 11.6 | 2.9 |
Completeness [%] | 98.0 | 95 |
Redundancy | 10.2 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.15 M Malic acid 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |