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 | 2005-04-03 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97924 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.417, 134.551, 78.458 |
Unit cell angles | 90.00, 96.24, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.22291 |
Rwork | 0.221 |
R-free | 0.26139 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.622 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.099 | 0.735 |
Number of reflections | 50559 | |
<I/σ(I)> | 26.3 | 2.82 |
Completeness [%] | 99.9 | 99 |
Redundancy | 7.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | K/NA TARTRATE, PEG3350, PH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |