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 |