1YA4
Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen
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 | 2003-08-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.022 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.369, 179.954, 201.584 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.530 - 3.200 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mx1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.120 | 0.286 |
| Number of reflections | 34502 | |
| <I/σ(I)> | 7 | 2.1 |
| Completeness [%] | 98.5 | 98.6 |
| Redundancy | 20 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | PEG 3350, Sodium Chloride, Lithium Cloride, Lithium Sulfate, Citrate, Glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
