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 |
