6TNP
Crystal structure of the ScFv-5E5 in complex with a Tn glycopeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-28 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.573, 113.195, 151.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 3.000 |
| R-factor | 0.20479 |
| Rwork | 0.203 |
| R-free | 0.25097 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yd5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.791 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.620 | |
| Rpim | 0.072 | |
| Number of reflections | 30356 | 4370 |
| <I/σ(I)> | 7.7 | 2.1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.993 | 0.503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Ammonium chloride HEPES Glycerol ethoxylate |
