6R6V
Structure of recombinant human butyrylcholinesterase in complex with a fluorescent coumarin-based probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 154.930, 154.930, 128.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.894 - 2.500 |
| R-factor | 0.1946 |
| Rwork | 0.192 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.078 | 0.638 |
| Rmeas | 0.084 | 0.688 |
| Rpim | 0.031 | 0.246 |
| Number of reflections | 27001 | 2689 |
| <I/σ(I)> | 14.58 | 2.55 |
| Completeness [%] | 99.0 | 99.67 |
| Redundancy | 6.5 | 6.8 |
| CC(1/2) | 0.998 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Ammonium sulfate |
