2O7R
Plant carboxylesterase AeCXE1 from Actinidia eriantha with acyl adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-04 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.565, 53.820, 42.328 |
| Unit cell angles | 90.00, 102.48, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.400 |
| R-factor | 0.20045 |
| Rwork | 0.199 |
| R-free | 0.21786 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.923 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.043 | 0.433 |
| Number of reflections | 63214 | |
| <I/σ(I)> | 25 | 2.2 |
| Completeness [%] | 93.0 | 62 |
| Redundancy | 2.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 21% mPEG 5000, 0.2M malic/KOH, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
