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 | 2014-03-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97913 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 126.685, 126.685, 143.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.515 - 2.509 |
R-factor | 0.1893 |
Rwork | 0.187 |
R-free | 0.22610 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.661 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.550 |
High resolution limit [Å] | 2.509 | 2.509 |
Rmerge | 0.071 | 0.973 |
Number of reflections | 40687 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.4 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1.1M SODIUM MALONATE, 0.1M HEPES PH7.0, 0.5% JEFFAMINE ED2001 |