4PKW
Anthrax toxin lethal factor with bound small molecule inhibitor GM6001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.427, 82.420, 130.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.381 - 1.750 |
| R-factor | 0.1787 |
| Rwork | 0.177 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.056 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 130.550 |
| High resolution limit [Å] | 1.750 |
| Rmerge | 0.041 |
| Total number of observations | 364950 |
| Number of reflections | 56847 |
| <I/σ(I)> | 26.8 |
| Completeness [%] | 100.0 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 286 | 11-16% PEG 8K, 50 mM Bis-Tris, 100 mM magnesium acetate |
