6WV1
Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 104.183, 104.183, 323.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.015 - 2.372 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.766 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.17.1-3660) |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.410 |
| High resolution limit [Å] | 2.370 | 6.430 | 2.370 |
| Rmerge | 0.069 | 0.037 | 0.343 |
| Rmeas | 0.082 | 0.045 | 0.408 |
| Rpim | 0.042 | 0.024 | 0.218 |
| Total number of observations | 276379 | ||
| Number of reflections | 83198 | 4324 | 4101 |
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 99.5 | 95.5 | 100 |
| Redundancy | 3.3 | 3.2 | 3.2 |
| CC(1/2) | 0.997 | 0.927 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 3350, KNO3 |
