6TCQ
Crystal structure of the omalizumab Fab Ser81Arg and Gln83Arg light chain mutant
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 | 2015-07-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.033, 96.615, 103.509 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.077 - 2.050 |
R-factor | 0.1759 |
Rwork | 0.173 |
R-free | 0.22140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tcm |
RMSD bond length | 0.008 |
RMSD bond angle | 0.954 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.080 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.197 | 0.889 |
Rpim | 0.075 | 0.466 |
Number of reflections | 28445 | 2108 |
<I/σ(I)> | 7.5 | 1.7 |
Completeness [%] | 99.7 | 96.3 |
Redundancy | 7.5 | 4.1 |
CC(1/2) | 0.990 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1M HEPES pH7 and 20% PEG 4000. Crystals were cryoprotected with 12% PEG 400 and 17% glycerol |