5C8V
Lucilia cuprina alpha esterase 7: Gly137Asp
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) | 0.8726 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.674, 102.583, 225.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.370 - 2.010 |
| R-factor | 0.18765 |
| Rwork | 0.185 |
| R-free | 0.24451 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fng |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.666 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.370 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.132 | 0.906 |
| Number of reflections | 44051 | |
| <I/σ(I)> | 7.7 | 1.4 |
| Completeness [%] | 95.4 | 98.2 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 100 mM sodium-acetate (pH 4.6) and 20% PEG 2K MME |
