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. |
