3ZWJ
CRYSTAL STRUCTURE OF THE PORE-FORMING TOXIN FRAC FROM ACTINIA FRAGACEA (Form 3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 117.969, 117.969, 256.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.480 - 2.370 |
| R-factor | 0.206 |
| Rwork | 0.192 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lim |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.025 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.490 | 2.500 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.080 | 0.260 |
| Number of reflections | 78787 | |
| <I/σ(I)> | 9.2 | 3.8 |
| Completeness [%] | 94.2 | 97.9 |
| Redundancy | 2.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 M SODIUM FORMATE |
