2Y57
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 210.740, 210.740, 210.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.670 - 3.300 |
| R-factor | 0.1637 |
| Rwork | 0.162 |
| R-free | 0.19340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c9t |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.740 | 3.380 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.170 | 0.850 |
| Number of reflections | 23584 | |
| <I/σ(I)> | 11.6 | 1.81 |
| Completeness [%] | 99.4 | 95.3 |
| Redundancy | 5.07 | 4.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1M MMT PH8.0, 1.3M AMMONIUM SULPHATE |
