2W8G
Aplysia californica AChBP bound to in silico compound 35
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-22 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 134.510, 173.628, 129.119 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 106.600 - 2.600 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c9t |
RMSD bond length | 0.018 |
RMSD bond angle | 1.650 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 106.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 40542 | |
<I/σ(I)> | 5.6 | 1.1 |
Completeness [%] | 87.5 | 87.5 |
Redundancy | 2.5 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |