7KBP
Herceptin Diabody with R83T, E85C Mutations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.153, 130.924, 139.999 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.900 - 2.300 |
R-factor | 0.1859 |
Rwork | 0.183 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x4x |
RMSD bond length | 0.003 |
RMSD bond angle | 0.495 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.173 | 1.001 |
Rmeas | 0.182 | 1.093 |
Number of reflections | 58592 | 2622 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 99.3 | |
Redundancy | 9.2 | |
CC(1/2) | 0.989 | 0.597 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 9% PEG 550 MME 0.1 M Bicine pH 8.8 |