4XM6
Anthrax toxin lethal factor with ligand-induced binding pocket
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-28 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.936, 76.922, 138.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.380 - 2.352 |
R-factor | 0.2071 |
Rwork | 0.205 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yqy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.889 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
Rmerge | 0.051 | 0.032 | 0.247 |
Total number of observations | 93815 | ||
Number of reflections | 25999 | ||
<I/σ(I)> | 12.3 | ||
Completeness [%] | 97.6 | 95 | 83.2 |
Redundancy | 3.6 | 3.6 | 2.9 |
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 |