4EY8
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.990 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 151.705, 151.705, 247.862 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.381 - 2.596 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.24390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b41 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.187 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.596 | 7.050 | 2.596 |
| Rmerge | 0.054 | 0.032 | 0.290 |
| Number of reflections | 33704 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 98.6 | 97.6 | 88.5 |
| Redundancy | 5 | 8.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | 1.6 to 2.0M ammonium sulphate, 0.1M HEPES pH 7.5 - 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
