1P0M
Crystal structure of human butyryl cholinesterase in complex with a choline molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9798 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 154.657, 154.657, 128.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.430 - 2.320 * |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.400 * |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.430 | 2.470 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.061 * | 0.398 * |
| Number of reflections | 29378 | |
| <I/σ(I)> | 23.67 | 4.26 |
| Completeness [%] | 87.4 | 77.7 |
| Redundancy | 9.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 20 * | Nachon, F., (2002) Eur.J.Biochem., 269, 630. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.6 (mg/ml) | |
| 2 | 1 | drop | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | reservoir | ammonium sulfate | 2.05-2.15 (M) |
