3LS4
Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9395 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 122.760, 122.760, 73.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.731 - 2.000 |
R-factor | 0.216 |
Rwork | 0.213 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Free form structure of the same antibody |
RMSD bond length | 0.012 |
RMSD bond angle | 1.584 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 38070 | |
<I/σ(I)> | 4.5 | |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 7.1 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12% PEG 3350, 0.1M sodium Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |