3NN8
Crystal structure of engineered antibody fragment based on 3D5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 266.637, 266.637, 266.637 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 154.300 - 3.100 |
| R-factor | 0.1858 |
| Rwork | 0.183 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ktr |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.871 |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 154.303 | 19.928 | 3.270 |
| High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
| Rmerge | 0.124 | 0.043 | 0.342 |
| Total number of observations | 4441 | 22955 | |
| Number of reflections | 28384 | ||
| <I/σ(I)> | 13.5 | 14.1 | 2.1 |
| Completeness [%] | 99.6 | 87.8 | 100 |
| Redundancy | 5.6 | 5.4 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | PEG 8000, magnesium acetate, pH 6.5, vapor diffusion, hanging drop, temperature 277K |
