4ARA
Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.764, 112.012, 227.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.855 - 2.500 |
| R-factor | 0.1834 |
| Rwork | 0.183 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.898 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.980 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.560 |
| Number of reflections | 70472 | |
| <I/σ(I)> | 17 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M HEPES, 30 % (V/V) POLYETHELENEGLYCOLEMONOMETHYLETHER, PH 7 |
