6TCP
Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form II
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 | P 21 21 21 |
Unit cell lengths | 80.112, 162.043, 164.426 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.022 - 2.500 |
R-factor | 0.2137 |
Rwork | 0.212 |
R-free | 0.23880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tcm |
RMSD bond length | 0.002 |
RMSD bond angle | 0.529 |
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] | 82.210 | 2.550 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.254 | 1.464 |
Rpim | 0.105 | 0.602 |
Number of reflections | 74746 | 4509 |
<I/σ(I)> | 8.9 | 1.9 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.7 | 6.7 |
CC(1/2) | 0.984 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 4000, 0.2M magnesium sulphate and 10% glycerol. Crystals were cryoprotected in 20% PEG 4000, 0.2M magnesium sulphate and 18% glycerol. |