4X7S
Structure of omalizumab Fab fragment crystal form 1
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 | 2013-11-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97626 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.860, 73.410, 140.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.606 - 1.900 |
R-factor | 0.2013 |
Rwork | 0.200 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xa8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.931 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.610 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 53406 | |
<I/σ(I)> | 12.73 | 0.71 |
Completeness [%] | 99.8 | 98.52 |
Redundancy | 6.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | HEPES, MPD |