7KIE
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X17B1 |
| Synchrotron site | NSLS |
| Beamline | X17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-05 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.92009 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 106.300, 116.910, 64.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.470 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ri1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.370 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.590 | 56.590 | 2.530 |
| High resolution limit [Å] | 2.470 | 11.050 | 2.470 |
| Rmerge | 0.152 | 0.035 | 1.215 |
| Rmeas | 0.163 | 0.039 | 1.310 |
| Rpim | 0.060 | 0.015 | 0.486 |
| Total number of observations | 215159 | 2461 | 15441 |
| Number of reflections | 29660 | 399 | 2140 |
| <I/σ(I)> | 10.4 | 32.5 | 1.6 |
| Completeness [%] | 100.0 | 99.4 | 99.9 |
| Redundancy | 7.3 | 6.2 | 7.2 |
| CC(1/2) | 0.997 | 0.999 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 15% w/v PEG 8000, 0.1M Sodium Citrate pH 4.0 |
