4XM8
Anthrax toxin lethal factor with ligand-induced binding pocket
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 | 2014-12-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.631, 77.076, 138.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.155 - 2.700 |
| R-factor | 0.2243 |
| Rwork | 0.222 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqy |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.673 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.076 | 77.076 | 2.709 |
| High resolution limit [Å] | 2.700 | 12.515 | 2.700 |
| Rmerge | 0.111 | 0.049 | 0.215 |
| Total number of observations | 104853 | 1026 | 903 |
| Number of reflections | 17580 | ||
| Completeness [%] | 99.7 | 98.6 | 99.4 |
| Redundancy | 6 | 4.8 | 5.6 |
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 |
