6TCR
Crystal structure of the omalizumab Fab Ser81Arg, Gln83Arg and Leu158Pro light chain mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.719, 96.250, 103.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.370 - 1.450 |
R-factor | 0.1669 |
Rwork | 0.166 |
R-free | 0.18360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tcm |
RMSD bond length | 0.016 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.370 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.079 | 0.475 |
Rpim | 0.031 | 0.250 |
Number of reflections | 77845 | 10961 |
<I/σ(I)> | 14.8 | 2.7 |
Completeness [%] | 99.6 | 97.6 |
Redundancy | 6.8 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1M HEPES pH7, 20% PEG 4000 and 0.15M ammonium sulphate. Crystals were cryoprotected with 0.1M HEPES pH7.5, 20% PEG 4000, 0.1M ammonium sulphate and 15% ethylene glycol |