2Q0R
Structure of Pectenotoxin-2 Bound to Actin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-06 |
| Detector | SBC |
| Wavelength(s) | 0.96411 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.437, 56.856, 105.747 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aso |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.772 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.109 |
| Number of reflections | 37755 | |
| <I/σ(I)> | 14.4 | 9.5 |
| Completeness [%] | 97.2 | 93.4 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM Na/MES/acetate, pH 5.5, 15% methyl ether poly(ethylene glycol) 5000, 10% hexanediol, 30 mM CaCl2, and 1 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
