Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 69.563, 69.563, 142.606 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.20668 |
Rwork | 0.205 |
R-free | 0.23305 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.622 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 19648 | |
<I/σ(I)> | 23.3 | 6.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.6 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 40% (v/v) PEG 300, 0.1M Cacodylate buffer pH6.5, 0.2M Calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |