1MX1
Crystal Structure of Human Liver Carboxylesterase in complex with tacrine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2002-02-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.021, 117.030, 176.010 |
| Unit cell angles | 90.00, 95.69, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.400 |
| R-factor | 0.162 |
| Rwork | 0.162 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.400 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | |
| High resolution limit [Å] | 2.400 | 2.400 * |
| Rmerge | 0.081 * | 0.231 * |
| Total number of observations | 563091 * | |
| Number of reflections | 141078 * | |
| Completeness [%] | 99.5 * | 99.9 * |
| Redundancy | 4.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | 22 * | PEG3350, glycerol, lithium sulfate, sodium chloride, lithium chloride, sodium citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | drop | HEPES | 50 (mM) | pH7.4 |
| 3 | 1 | drop | tacrine | 10 (M) | |
| 4 | 1 | reservoir | PEG3350 | 10 (%) | |
| 5 | 1 | reservoir | 0.4 (M) | ||
| 6 | 1 | reservoir | 0.1 (M) | ||
| 7 | 1 | reservoir | 0.1 (M) | ||
| 8 | 1 | reservoir | citrate | 0.1 (M) | pH5.5 |
| 9 | 1 | reservoir | glycerol | 5 (%) |
