3U8M
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-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 | 2010-04-08 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 233.057, 268.453, 73.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.010 - 2.700 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1UW6: PENTAMER CHAIN A-E |
RMSD bond length | 0.008 |
RMSD bond angle | 1.053 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.010 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.109 | 0.380 |
Number of reflections | 120656 | |
<I/σ(I)> | 14.1 | 2 |
Completeness [%] | 94.9 | 98 |
Redundancy | 5.3 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 293 | 50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |