2DR0
Crystal structure of human carboxylesterase in complex with taurocholate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Collection date | 2001-04-14 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.419, 179.954, 201.087 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.610 - 3.200 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.25500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 34194 | |
| <I/σ(I)> | 8.5 | 3 |
| Completeness [%] | 98.6 | 97.6 |
| Redundancy | 3.7 |
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 |
