6TCO
Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9173 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 94.465, 116.844, 181.163 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.232 - 1.800 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tcm |
RMSD bond length | 0.011 |
RMSD bond angle | 1.148 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.232 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.093 | 1.572 |
Rpim | 0.031 | 0.513 |
Number of reflections | 92713 | 4559 |
<I/σ(I)> | 15.9 | 1.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 10 | 10.3 |
CC(1/2) | 0.999 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350 and 0.2M sodium sulphate. Crystals were cryoprotected with 20% PEG 3350, 0.2M magnesium sulphate and 18% ethylene glycol. |