7NC0
The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9119 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 93.829, 93.829, 201.744 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.370 - 2.200 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f3h |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.374 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 | 1.078 |
| Rmeas | 0.103 | 1.167 |
| Number of reflections | 27308 | 2676 |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 98.4 | 90.3 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 50 mM Citric Acid pH 4.0, 8% w/v PEG3350 |
