6FZR
Crystal structure of scFv-SM3 in complex with compound 2
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 | 2016-06-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.274, 69.431, 90.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.150 - 1.800 |
| R-factor | 0.18795 |
| Rwork | 0.187 |
| R-free | 0.23201 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5owp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.664 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.150 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.044 | 0.543 |
| Number of reflections | 20522 | |
| <I/σ(I)> | 12.5 | 1.9 |
| Completeness [%] | 95.7 | 99.9 |
| Redundancy | 6.9 | 7.1 |
| CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350 disodium hydrogen phosphate |
