5A2J
Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP
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 1 21 1 |
| Unit cell lengths | 45.853, 35.486, 69.518 |
| Unit cell angles | 90.00, 98.99, 90.00 |
Refinement procedure
| Resolution | 68.660 - 1.650 |
| R-factor | 0.16737 |
| Rwork | 0.166 |
| R-free | 0.19733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sm3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.493 |
| 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] | 20.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 0.280 |
| Number of reflections | 26087 | |
| <I/σ(I)> | 13.6 | 4 |
| Completeness [%] | 97.1 | 95.8 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
