6J71
HuA21-scFv in complex with the extracellular domain(ECD) of HER2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.28211 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.987, 78.073, 125.769 |
Unit cell angles | 90.00, 107.47, 90.00 |
Refinement procedure
Resolution | 40.024 - 2.918 |
R-factor | 0.2108 |
Rwork | 0.208 |
R-free | 0.26680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h3b 3be1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.564 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.960 |
High resolution limit [Å] | 2.918 | 2.918 |
Rmerge | 0.120 | 0.623 |
Rmeas | 0.131 | |
Rpim | 0.053 | |
Number of reflections | 28728 | 1279 |
<I/σ(I)> | 13.89 | 2.06 |
Completeness [%] | 96.8 | 84.5 |
Redundancy | 6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.1 M MES monohydrate pH 6.5, 12% (w/v) PEG 20,000 |