3DO9
Crystal structure of protein ba1542 from bacillus anthracis str.ames
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-03-17 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 127.742, 127.742, 196.068 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| R-factor | 0.26532 |
| Rwork | 0.264 |
| R-free | 0.31204 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.895 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.122 | 0.501 |
| Number of reflections | 26606 | |
| <I/σ(I)> | 4.1 | 1.1 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 7.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 100MM BIS-TRIS,PH 6.5, 3500MM SODIUM CHLORIDE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, pH 6.50 |
