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 |
