5A2K
Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.418, 68.796, 90.414 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.410 - 1.700 |
| R-factor | 0.17695 |
| Rwork | 0.176 |
| R-free | 0.21619 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sm3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.567 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.510 |
| Number of reflections | 25092 | |
| <I/σ(I)> | 18.9 | 3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
