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 |
Detector | SBC-3 |
Spacegroup name | P 61 |
Unit cell lengths | 157.536, 157.536, 360.347 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.160 - 3.000 |
R-factor | 0.258 |
Rwork | 0.258 |
R-free | 0.34600 |
Structure solution method | MIR |
RMSD bond length | 0.011 |
RMSD bond angle | 1.900 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MLPHARE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 150.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.068 | 0.540 |
Number of reflections | 100622 | |
<I/σ(I)> | 17.9 | 2.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | PEG400, pH 7.50, VAPOR DIFFUSION, temperature 293K |