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 |