5CH3
E3 alpha-esterase-7 carboxylesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9393 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 48.574, 100.472, 221.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.760 - 1.710 |
| R-factor | 0.17292 |
| Rwork | 0.171 |
| R-free | 0.21426 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fng |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.841 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.800 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.145 | 3.800 |
| Number of reflections | 56138 | |
| <I/σ(I)> | 19.5 | 1.1 |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 29 | 28.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 2K MME, 100mM sodium acetate pH 4.5 |
