8VK1
X-ray crystal structure of human IgE 4C8 Fab complex with Der p 2.0103
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-22 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 225.254, 95.298, 69.209 |
Unit cell angles | 90.00, 105.72, 90.00 |
Refinement procedure
Resolution | 39.577 - 3.050 |
Rwork | 0.197 |
R-free | 0.24770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7mlh |
RMSD bond length | 0.005 |
RMSD bond angle | 1.302 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.100 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.105 | 0.420 |
Rmeas | 0.122 | 0.490 |
Rpim | 0.061 | 0.250 |
Number of reflections | 26735 | 1331 |
<I/σ(I)> | 13.7 | 1.8 |
Completeness [%] | 99.0 | 97.1 |
Redundancy | 3.8 | |
CC(1/2) | 0.984 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 1.0 M lithium chloride, 0.3 M citrate, pH 4.0, 25% w/v PEG6000 |