3KWV
Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 178.381, 178.381, 240.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.835 - 3.101 |
| R-factor | 0.25 |
| Rwork | 0.249 |
| R-free | 0.28110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hvd |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.610 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.800 | 3.190 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.069 | 0.460 |
| Number of reflections | 65167 | |
| <I/σ(I)> | 11.4 | 2.2 |
| Completeness [%] | 99.8 | 78 |
| Redundancy | 7.9 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 16% PEG 3000, 0.1M cacodylic acid, 0.2M magnesium chloride, 10 mM Tris-Cl, 75 mM sodium chloride, 10 mM adenosine-5'-triphosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
