7ULS
Recombinant muscarinic toxin alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-07 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 1.00007 |
Spacegroup name | P 63 |
Unit cell lengths | 58.555, 58.555, 35.395 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.280 - 1.800 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.21990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4do8 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.908 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.280 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.494 | |
Rmeas | 0.052 | |
Rpim | 0.017 | |
Number of reflections | 11189 | 523 |
<I/σ(I)> | 53.4 | |
Completeness [%] | 99.4 | |
Redundancy | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 128 mg/ml in 200 mM NH4Ac (pH 7.0), 1:1(v/v) with 1.26 M sodium phosphate monobasic monohydrate, 0.14 M potassium phosphate, pH 5.6 at 18 degree centigrade |