4DO8
Crystal structure of the muscarinic toxin MT1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 32.280, 116.040, 46.190 |
| Unit cell angles | 90.00, 108.01, 90.00 |
Refinement procedure
| Resolution | 35.020 - 1.802 |
| R-factor | 0.19472 |
| Rwork | 0.193 |
| R-free | 0.23377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RHO-DA1A (UNPUBLISHED) |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.107 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 5.370 | 1.800 |
| Rmerge | 0.094 | 0.062 | 0.729 |
| Number of reflections | 14793 | ||
| <I/σ(I)> | 10.67 | 20.48 | 2.5 |
| Completeness [%] | 98.9 | 93.4 | 96 |
| Redundancy | 4.06 | 3.78 | 3.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Protein: 8.3 mg/mL in 0.05M sodium Acetate pH 5.5. Precipitant: 36% MPEG 2K, 0.1mM imidazole-HCl, .45M NaCl, 0.09M KSCN, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
