4R6I
AtxA protein, a virulence regulator from Bacillus anthracis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 130.460, 135.167, 180.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.930 - 2.650 |
| R-factor | 0.1986 |
| Rwork | 0.196 |
| R-free | 0.25200 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.434 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.930 | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 7.190 | 2.650 |
| Rmerge | 0.086 | 0.051 | 0.894 |
| Rmeas | 0.055 | 0.968 | |
| Rpim | 0.022 | 0.367 | |
| Number of reflections | 46330 | ||
| <I/σ(I)> | 10.9 | 2.17 | |
| Completeness [%] | 99.7 | 95.3 | 99.9 |
| Redundancy | 6.6 | 5.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 3 M NaCL, 0.1 M Bis-Tris buffer, 0.2% N-dodecyl-beta-D-maltoside, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
