3DCI
The Structure of a putative arylesterase from Agrobacterium tumefaciens str. C58
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-21 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97921, 0.97941 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.204, 131.397, 122.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.280 - 2.000 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.18400 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.386 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.088 | 0.452 |
Number of reflections | 41107 | |
<I/σ(I)> | 6.5 | |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 7.4 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1M sodium acetate pH 4.6, 3.2M sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |