5D1T
Anthrax toxin lethal factor with hydroxamic acid inhibitor
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 | 57.858, 76.544, 138.386 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.397 - 2.200 |
| R-factor | 0.1983 |
| Rwork | 0.196 |
| R-free | 0.25450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pkr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 138.386 | 138.386 | 2.207 |
| High resolution limit [Å] | 2.200 | 10.210 | 2.200 |
| Rmerge | 0.066 | 0.031 | 0.373 |
| Total number of observations | 204439 | 2158 | 2087 |
| Number of reflections | 31998 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 100.0 | 100 | 99.4 |
| Redundancy | 6.4 | 5.5 | 6.7 |
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 |
