3U8K
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-29 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 235.410, 273.160, 73.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.510 - 2.470 |
R-factor | 0.2 |
Rwork | 0.196 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1UW6: PENTAMER CHAIN A-E |
RMSD bond length | 0.008 |
RMSD bond angle | 1.011 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.514 | 2.610 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.097 | 0.355 |
Number of reflections | 168353 | |
<I/σ(I)> | 6.4 | 2 |
Completeness [%] | 99.1 | 98.1 |
Redundancy | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 293 | 50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |