1YAJ
Crystal Structure of Human Liver Carboxylesterase in complex with benzil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.022 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.560, 181.493, 202.712 |
| Unit cell angles | 90.12, 89.93, 89.72 |
Refinement procedure
| Resolution | 54.560 - 3.200 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mx5 |
| RMSD bond length | 0.219 |
| RMSD bond angle | 3.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.156 | 0.446 |
| Number of reflections | 124749 | |
| <I/σ(I)> | 3.9 | 1.8 |
| Completeness [%] | 97.2 | 96.9 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | PEG 3350, Sodium Chloride, Lithium Chloride, Lithium Sulfate, Citrate, Glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
