3QXV
Structure of an Anti-Methotrexate CDR1-4 Graft VHH Antibody in Complex with Methotrexate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-12 |
| Detector | MAR 225 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.669, 57.605, 131.136 |
| Unit cell angles | 90.00, 90.27, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.23209 |
| Rwork | 0.230 |
| R-free | 0.27855 |
| Structure solution method | MIR |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.518 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.076 |
| Number of reflections | 37495 |
| <I/σ(I)> | 8.73 |
| Completeness [%] | 99.5 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 0.2M Lithium Sulfate Monohydrate, 0.1M Tris. 25% w/v PEG 3,350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
