4BUH
Human IgE against the major allergen Bet v 1 - Crystal structure of clone M0418 scFv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-18 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.495, 76.420, 70.181 |
| Unit cell angles | 90.00, 118.07, 90.00 |
Refinement procedure
| Resolution | 27.283 - 1.300 |
| R-factor | 0.1467 |
| Rwork | 0.145 |
| R-free | 0.17280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yc1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.169 |
| Data reduction software | XDS (IN XIA2 PACKAGE) |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.300 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.110 | 0.870 |
| Number of reflections | 109350 | |
| <I/σ(I)> | 12.6 | 3.5 |
| Completeness [%] | 96.1 | 93.7 |
| Redundancy | 9.1 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M MES PH6.5, 25% PEG 4000, pH 7.5 |
