2XA8
Crystal structure of the Fab domain of omalizumab at 2.41A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-24 |
| Detector | BRUKER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.600, 73.851, 141.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.930 - 2.420 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vl5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.978 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.6.3_473)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.100 | 0.820 |
| Number of reflections | 25869 | |
| <I/σ(I)> | 14.6 | 1.43 |
| Completeness [%] | 98.6 | 94.1 |
| Redundancy | 4.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 2.0 M AMMONIUM SULFATE, 0.1 M NA HEPES PH 7.5, 2% W/V PEG400. |
