5DLP
Acetylcholinesterase Methylene Blue no PEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.059, 111.059, 137.172 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 96.180 - 2.700 |
| R-factor | 0.19409 |
| Rwork | 0.193 |
| R-free | 0.22378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2W9I |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.201 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.180 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.104 | 0.643 |
| Number of reflections | 27016 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 98.9 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 46% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5 |
