4LAS
Crystal structure of a therapeutic single chain antibody in complex with 4-hydroxymethamphetamine
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 | 34.279, 65.297, 48.574 |
Unit cell angles | 90.00, 98.36, 90.00 |
Refinement procedure
Resolution | 33.940 - 2.330 |
R-factor | 0.164 |
Rwork | 0.160 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.594 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.330 |
Rmerge | 0.053 |
Number of reflections | 8577 |
<I/σ(I)> | 32.4 |
Completeness [%] | 93.3 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 287.15 | 1.6M ammonium sulfate, 240 mM imidazole malate, pH 8.0., VAPOR DIFFUSION, HANGING DROP, temperature 287.15K |