4GQP
Structure based design of sub-nanomolar affinity anti-methamphetamine single chain antibodies.
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 | 2012-04-25 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.516, 65.265, 48.483 |
Unit cell angles | 90.00, 98.20, 90.00 |
Refinement procedure
Resolution | 38.660 - 2.000 |
R-factor | 0.19669 |
Rwork | 0.194 |
R-free | 0.25361 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gkz |
RMSD bond length | 0.023 |
RMSD bond angle | 1.987 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 14299 | |
<I/σ(I)> | 34.2 | 8.1 |
Completeness [%] | 99.2 | 100 |
Redundancy | 4.8 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 287.15 | 0.917 M sodium citrate, pH 8.2, 0.324 M imidazole-malate, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 287.15K |