6TGG
scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2016-02-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.271, 68.689, 90.393 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.210 - 2.000 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5owp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.528 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.076 | 0.342 |
| Number of reflections | 15528 | 2229 |
| <I/σ(I)> | 9.1 | 4.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.1 | |
| CC(1/2) | 0.987 | 0.758 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350 disodium hydrogen phosphate |
