7XBI
The crystal structure of human TrkA kinase bound to the inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 52.010, 52.010, 229.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.160 - 2.160 |
| R-factor | 0.1939 |
| Rwork | 0.188 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pl4 |
| Data reduction software | autoXDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.160 | 29.160 | 2.220 |
| High resolution limit [Å] | 2.160 | 9.660 | 2.160 |
| Rmerge | 0.174 | 0.045 | 1.647 |
| Rmeas | 0.182 | 0.047 | 1.723 |
| Rpim | 0.054 | 0.014 | 0.502 |
| Total number of observations | 215614 | 2453 | 15746 |
| Number of reflections | 19481 | 260 | 1374 |
| <I/σ(I)> | 12.2 | 35.3 | 2.1 |
| Completeness [%] | 99.5 | 97.2 | 99.1 |
| Redundancy | 11.1 | 9.4 | 11.5 |
| CC(1/2) | 0.998 | 0.999 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Na2HPO4/KH2PO4 pH=6.2, 2M NaCl |
