4LAR
Crystal structure of a therapeutic single chain antibody in complex with amphetamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-17 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.545, 65.227, 48.593 |
Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
Resolution | 48.030 - 2.380 |
R-factor | 0.219 |
Rwork | 0.215 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gk2 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.865 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.380 |
Rmerge | 0.093 |
Number of reflections | 7947 |
<I/σ(I)> | 24.9 |
Completeness [%] | 93.3 |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 287.1 | 1.15M sodium citrate, 0.28M imidazole-malate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 287.1K |