7JXH
HER2 in complex with JBJ-08-178-01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.138, 154.617, 93.548 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 91.340 - 3.270 |
| R-factor | 0.2413 |
| Rwork | 0.239 |
| R-free | 0.28490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pp0 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.340 | 91.220 | 3.320 |
| High resolution limit [Å] | 3.260 | 8.860 | 3.260 |
| Rmeas | 0.595 | 0.095 | 3.930 |
| Rpim | 0.226 | 0.036 | 1.477 |
| Total number of observations | 13725 | 12607 | |
| Number of reflections | 75837 | 2014 | 1805 |
| <I/σ(I)> | 3.9 | 9.2 | 0.9 |
| Completeness [%] | 99.1 | 99.6 | 92.6 |
| Redundancy | 6.8 | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350 |
