7Z5X
ROS1 with AstraZeneca ligand 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.061, 41.210, 85.570 |
| Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
| Resolution | 29.760 - 2.035 |
| R-factor | 0.2287 |
| Rwork | 0.227 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uxl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.513 | 2.218 |
| High resolution limit [Å] | 2.028 | 2.028 |
| Number of reflections | 26692 | 1335 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 74.5 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.998 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.66 | 293.15 | 11% peg3350, 200mM AmSO4, PCTP 100mM pH 6.66. Grown in 15well plate. Seeded with previous crystals sent. ATP/Mg 10mM |
