5E4J
Acetylcholinesterase Methylene Blue no PEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.210, 111.210, 137.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.150 - 2.540 |
| R-factor | 0.19306 |
| Rwork | 0.191 |
| R-free | 0.22903 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.391 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.150 | 2.680 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.146 | 0.560 |
| Number of reflections | 38533 | |
| <I/σ(I)> | 3.5 | 1.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 279 | 60% AS/360 mM Na,K phosphate/100 mM Na phosphate, pH 6.5 |
