4X7T
Structure of Omalizumab Fab fragment, crystal form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97551 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.470, 73.490, 87.040 |
| Unit cell angles | 90.00, 116.46, 90.00 |
Refinement procedure
| Resolution | 45.408 - 3.000 |
| R-factor | 0.1972 |
| Rwork | 0.193 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x7s |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.410 | 3.107 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 19417 | |
| <I/σ(I)> | 5.8 | 1.11 |
| Completeness [%] | 99.4 | 99.32 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | HEPES, Polyvinyl Pyrrolidone K15, Lithium Sulphate |
