2VLW
Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.766, 56.577, 45.308 |
| Unit cell angles | 90.00, 95.17, 90.00 |
Refinement procedure
| Resolution | 45.130 - 1.390 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ff4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.620 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.130 | 1.420 |
| High resolution limit [Å] | 1.390 | 1.380 |
| Rmerge | 0.070 | 0.480 |
| Number of reflections | 24835 | |
| <I/σ(I)> | 5 | 2.5 |
| Completeness [%] | 95.3 | 75.3 |
| Redundancy | 2.2 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 1.25M AMMONIUM SULFATE, 90MM SODIUM CITRATE, 10% 4-METHYL PENTANEDIOL, PH 5.5 |
