5HQ3
Stable, high-expression variant of human acetylcholinesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 89.534, 89.534, 395.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.20355 |
| Rwork | 0.201 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.713 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.800 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.107 | 0.576 |
| Number of reflections | 50786 | |
| <I/σ(I)> | 6.1 | 1.3 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 9.7 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 8% PEG 6000 0.1M MgCl2 0.1M MES pH=6 |
