6WUZ
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GB
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 | 104.944, 104.944, 323.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.175 - 2.253 |
| R-factor | 0.1691 |
| Rwork | 0.168 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.816 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.17.1-3660) |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.083 | 0.038 | 0.519 |
| Rmeas | 0.090 | 0.041 | 0.583 |
| Rpim | 0.035 | 0.016 | 0.259 |
| Total number of observations | 624009 | ||
| Number of reflections | 95341 | 5274 | 3657 |
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 96.7 | 98.9 | 75.2 |
| Redundancy | 6.5 | 6.6 | 4.4 |
| CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 3350, KNO3 |
