4LFQ
High resolution x-ray crystal structure of L-ShK toxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.688 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 41.161, 49.491, 27.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.745 - 1.059 |
R-factor | 0.1322 |
Rwork | 0.131 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.275 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1313) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.080 |
High resolution limit [Å] | 1.059 | 2.880 | 1.060 |
Rmerge | 0.093 | 0.046 | 0.434 |
Number of reflections | 13043 | ||
<I/σ(I)> | 4 | ||
Completeness [%] | 98.3 | 93.4 | 98.8 |
Redundancy | 7.3 | 7.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 2.1 M DL-Malic acid, pH 7, vapor diffusion, hanging drop, temperature 292K |