5JW5
Structure of MEDI8852 Fab Fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97941 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.220, 109.920, 139.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.430 - 1.900 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3HOT (chain B) 4KMT (chain L) |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.430 | 1.950 | |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.098 | 0.039 | 0.745 |
| Number of reflections | 77785 | ||
| <I/σ(I)> | 10 | 25.59 | 2.41 |
| Completeness [%] | 97.3 | 83.3 | 98.4 |
| Redundancy | 4.1 | ||
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350, 0.2 M Ammonium Dihydrogen Phosphate, seeded from crystals obtained from 18% PEG8000, 0.1 M Sodium Cacodylate pH 6.5 and 0.2 M Calcium Acetate |
