3TEZ
Crystal Structure of Anthrax Protective Antigen Mutant S337C N664C and dithiolacetone modified to 1.8-A resolution
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 | 2011-05-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.293, 93.686, 117.851 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.900 - 1.830 |
| R-factor | 0.1935 |
| Rwork | 0.193 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.900 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.120 | 0.757 |
| Number of reflections | 70160 | |
| <I/σ(I)> | 20.9 | 4.3 |
| Completeness [%] | 99.7 | 83 |
| Redundancy | 14.2 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 20% PEG-ME 2000, 0.1M Tris-Cl, 0.2M Trimethylamine-N-oxide, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
