6WVO
Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GD 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 | 104.871, 104.871, 322.818 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.870 - 2.190 |
| R-factor | 0.1973 |
| Rwork | 0.196 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.17.1-3660) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 200.000 | 200.000 | 2.240 |
| High resolution limit [Å] | 2.193 | 5.970 | 2.193 |
| Rmerge | 0.217 | 0.052 | 2.861 |
| Rmeas | 0.230 | 0.055 | 3.028 |
| Rpim | 0.075 | 0.017 | 0.983 |
| Number of reflections | 106415 | 5746 | 5274 |
| <I/σ(I)> | 3.2 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 9.2 | 10.3 | 9.3 |
| CC(1/2) | 0.999 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 3350, KNO3 |
