3U8L
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.900 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.960, 114.810, 127.060 |
Unit cell angles | 90.00, 91.08, 90.00 |
Refinement procedure
Resolution | 42.346 - 2.320 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1UW6: pentamer chain A-E |
RMSD bond length | 0.007 |
RMSD bond angle | 1.061 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.780 | 44.780 | 2.480 |
High resolution limit [Å] | 2.320 | 7.430 | 2.350 |
Rmerge | 0.099 | 0.041 | 0.362 |
Number of reflections | 88355 | ||
<I/σ(I)> | 9.4 | 24.2 | 2.1 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 4.1 | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |