6EMI
Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.074 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.840, 75.170, 122.070 |
| Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
| Resolution | 65.020 - 2.476 |
| R-factor | 0.2237 |
| Rwork | 0.222 |
| R-free | 0.25530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.531 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.020 | 2.565 |
| High resolution limit [Å] | 2.476 | 2.476 |
| Rmerge | 0.116 | 0.530 |
| Rmeas | 0.138 | 0.625 |
| Rpim | 0.074 | 0.328 |
| Number of reflections | 51072 | |
| <I/σ(I)> | 7.92 | |
| Completeness [%] | 98.4 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 3350, ammonium acetate |
