3IMI
2.01 Angstrom resolution crystal structure of a HIT family protein from Bacillus anthracis str. 'Ames Ancestor'
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.276, 46.434, 84.291 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.010 |
| R-factor | 0.16279 |
| Rwork | 0.161 |
| R-free | 0.19754 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.472 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.068 | 0.507 |
| Number of reflections | 77248 | |
| <I/σ(I)> | 14.92 | 2.67 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 30% PEG 8000, 0.2M NH4 Sulfate, 0.1M Na Cacodylate pH 6.5. Paratone-N was used for cryoprotection, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
