3SH1
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.793, 140.183, 136.806 |
Unit cell angles | 90.00, 105.20, 90.00 |
Refinement procedure
Resolution | 48.054 - 2.900 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Modified via pymol PDB entry 2BYR |
RMSD bond length | 0.013 |
RMSD bond angle | 1.442 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 (Program Suite 6.1.3) |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.138 | 0.952 |
Number of reflections | 85106 | |
<I/σ(I)> | 13.909 | 1.5 |
Completeness [%] | 73.4 | 95.7 |
Redundancy | 7.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 30%MPD, 0.1M Na Cacodylate, 0.2M Magnesium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |