6FRJ
Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.353, 68.612, 90.609 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.700 - 1.400 |
| R-factor | 0.20578 |
| Rwork | 0.205 |
| R-free | 0.22968 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sm3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.355 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.700 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rpim | 0.031 | 0.327 |
| Number of reflections | 41360 | |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 93.4 | 99.9 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.996 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350 disodium hydrogen phosphate |
