Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 84.962, 113.244, 258.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.097 - 3.404 |
R-factor | 0.2636 |
Rwork | 0.261 |
R-free | 0.31830 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.883 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.600 |
High resolution limit [Å] | 3.440 | 6.870 | 3.440 |
Rmerge | 0.046 | 0.032 | 0.388 |
Number of reflections | 30339 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 94.6 | 87.5 | 92.2 |
Redundancy | 1.6 | 1.7 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 15%PEG1000, 360mM Lithium Citrate, 5% Glycerol, 5% Isopropanol, , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |