3DY9
Crystal structure of AeD7 potassium bromide soak
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 | 2006-12-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.91959 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.757, 66.062, 52.387 |
Unit cell angles | 90.00, 113.27, 90.00 |
Refinement procedure
Resolution | 38.900 - 1.700 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.21800 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.278 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.092 | 0.576 |
Number of reflections | 39739 | |
<I/σ(I)> | 8.9 | 2 |
Completeness [%] | 98.4 | 85.7 |
Redundancy | 7.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 16-20% PEG-6000, 0.1 M Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |