2OQZ
The crystal structure of sortase B from B.anthracis in complex with AAEK2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-24 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.490, 64.964, 43.653 |
| Unit cell angles | 90.00, 105.06, 90.00 |
Refinement procedure
| Resolution | 42.140 - 1.600 |
| R-factor | 0.19249 |
| Rwork | 0.191 |
| R-free | 0.22619 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.236 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.094 | 0.400 |
| Number of reflections | 27707 | |
| <I/σ(I)> | 15.78 | 1.72 |
| Completeness [%] | 99.7 | 97.7 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2M LiSO4, 19% PEG6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
