3LS5
Anti-tetrahydrocannabinol Fab Fragment, Free Form
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 | 121.434, 121.434, 73.499 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.933 - 1.900 |
R-factor | 0.215 |
Rwork | 0.214 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.465 |
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 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 43799 | |
<I/σ(I)> | 5.1 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.9 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 14% PEG 3350, 0.1 M sodium citrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |