5Y2Q
X-ray structure of acetylcholine binding protein (AChBP) complexed with a small molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97914 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.185, 77.156, 222.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.056 - 2.363 |
R-factor | 0.2258 |
Rwork | 0.223 |
R-free | 0.27680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ux2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.448 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (phenix.refine: 1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.360 | 5.080 | 2.360 |
Rmerge | 0.086 | 0.039 | 0.880 |
Rmeas | 0.092 | 0.042 | 0.942 |
Rpim | 0.032 | 0.014 | 0.329 |
Number of reflections | 47126 | 5077 | 4729 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 96.6 | 97.6 | 98.1 |
Redundancy | 7.7 | 7.7 | 7.8 |
CC(1/2) | 0.999 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | TRIS PH 8.0, AMMONIUM SULFATE |