2OQW
The crystal structure of sortase B from B.anthracis in complex with AAEK1
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 | 2006-04-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.436, 73.806, 89.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.540 - 2.100 |
| R-factor | 0.19038 |
| Rwork | 0.187 |
| R-free | 0.25871 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.672 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.450 |
| Number of reflections | 14492 | |
| <I/σ(I)> | 20.95 | 1.87 |
| Completeness [%] | 96.1 | 72.33 |
| Redundancy | 8.2 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M MgCl2, 25% PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
