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 | 2005-08-03 |
Detector | SBC-2 |
Wavelength(s) | 1.0332 |
Spacegroup name | P 61 |
Unit cell lengths | 59.340, 59.340, 126.374 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.700 - 2.000 |
R-factor | 0.247 |
Rwork | 0.225 |
R-free | 0.25400 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.06) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.700 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.045 | 0.275 |
Number of reflections | 15871 | |
<I/σ(I)> | 2.813 | |
Completeness [%] | 93.0 | 63 |
Redundancy | 6.6 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1M Sodium citrate pH 5.6, 0.5M potassium thiocyanate, 5% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1M Sodium citrate pH 5.6, 0.5M potassium thiocyanate, 5% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 295K |