2W8F
Aplysia californica AChBP bound to in silico compound 31
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-10 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 76.800, 76.800, 725.520 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.760 - 2.700 |
R-factor | 0.239 |
Rwork | 0.237 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c9t |
RMSD bond length | 0.018 |
RMSD bond angle | 1.591 |
Data reduction software | EVAL15 |
Data scaling software | EVAL15 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.600 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 67908 | |
<I/σ(I)> | 9.9 | 1.6 |
Completeness [%] | 98.0 | 98 |
Redundancy | 8.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |