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 |