5FXC
Crystal structure of glycopeptide 22 in complex with scFv-SM3
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 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.349, 67.875, 90.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.380 - 2.050 |
| R-factor | 0.20171 |
| Rwork | 0.200 |
| R-free | 0.27672 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a2i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.397 |
| 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 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.120 | 0.780 |
| Number of reflections | 14126 | |
| <I/σ(I)> | 10.4 | 2.1 |
| Completeness [%] | 98.5 | 92.2 |
| Redundancy | 7.8 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
