5N7W
Computationally designed functional antibody
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 | 2014-12-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.240, 199.980, 76.350 |
| Unit cell angles | 90.00, 96.42, 90.00 |
Refinement procedure
| Resolution | 75.870 - 1.960 |
| R-factor | 0.20151 |
| Rwork | 0.199 |
| R-free | 0.24974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.842 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.870 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.470 | |
| Number of reflections | 86657 | 4969 |
| <I/σ(I)> | 13.7 | 1.1 |
| Completeness [%] | 96.5 | 74.4 |
| Redundancy | 3.1 | 1.8 |
| CC(1/2) | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 18% (w/v) PEG-MME 2000, 100mM PCTP pH4.5 |
