1K8T
Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 270 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 50.476, 203.604, 74.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.228 * |
| Rwork | 0.229 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | EF-CaM |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.550 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.087 * | 0.273 |
| Number of reflections | 23911 | |
| <I/σ(I)> | 5.6 | 1.7 |
| Completeness [%] | 98.5 | 95.4 |
| Redundancy | 6.5 * | 4.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 277 | PEG550,Nickle chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | H6-EF | 40 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 50 (mM) | pH7.5 | |
| 4 | 1 | reservoir | citric acid | 100 (mM) | pH5.65 |
| 5 | 1 | reservoir | glycerol | 15 (%) | |
| 6 | 1 | reservoir | PEG550 MME | 11.5 (%(w/v)) | |
| 7 | 1 | reservoir | 220 (mM) | ||
| 8 | 1 | reservoir | 2 (mM) |
