2DQY
Crystal structure of human carboxylesterase in complex with cholate and palmitate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-04-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.292, 179.877, 201.323 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 3.000 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mx1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.200 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 38284 | |
| <I/σ(I)> | 7.8 | 2.4 |
| Completeness [%] | 93.0 | 83.6 |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 8% PEG 3350, 0.4M Li2SO4, 0.1M NaCl, 0.1M LiCl, 0.1M citrate (pH 5.5), 5% glycerol , pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
