3ODV
X-ray structure of kaliotoxin by racemic protein crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.95373 |
Spacegroup name | P -1 |
Unit cell lengths | 25.150, 30.511, 41.097 |
Unit cell angles | 109.39, 97.39, 97.09 |
Refinement procedure
Resolution | 38.130 - 0.950 |
R-factor | 0.18878 |
Rwork | 0.188 |
R-free | 0.20326 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.011 |
RMSD bond angle | 1.646 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.980 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.057 | |
Number of reflections | 62285 | |
<I/σ(I)> | 19.9 | 1.8 |
Completeness [%] | 88.2 | 50.9 |
Redundancy | 4.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 1.8 M sodium citrate tribasic dihydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |