3QXT
Structure of an Anti-Methotrexate CDR1-3 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 | 2010-02-17 |
| Detector | MAR 225 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 103.063, 103.063, 157.073 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.499 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.700 |
| Rmerge | 0.067 |
| Number of reflections | 52887 |
| <I/σ(I)> | 34.4 |
| Completeness [%] | 96.5 |
| Redundancy | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293.15 | 1.0M Succinic Acid, 0.1M HEPES, 1% w/v PEG 2,000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
