4AEA
Dimeric alpha-cobratoxin X-ray structure: Localization of intermolecular disulfides and possible mode of binding to nicotinic acetylcholine receptors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 86.000, 86.000, 37.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.240 - 1.940 |
| R-factor | 0.22037 |
| Rwork | 0.219 |
| R-free | 0.25142 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ctx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0099) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.240 | 2.050 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.080 | 0.880 |
| Number of reflections | 11890 | |
| <I/σ(I)> | 17.9 | 2.1 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 7.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2 | 60% (V/V) 2-METHYL-2,4- PENTANEDIOL, 0.1 M GLYCINE-HCL PH 2 |
