6LVK
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 2010-08-30 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 64.272, 105.571, 116.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.060 - 2.290 |
R-factor | 0.2056 |
Rwork | 0.203 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b2t |
RMSD bond length | 0.010 |
RMSD bond angle | 1.735 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.060 | 48.060 | 2.370 |
High resolution limit [Å] | 2.290 | 8.870 | 2.290 |
Rmerge | 0.078 | 0.025 | 0.442 |
Rmeas | 0.091 | 0.030 | 0.519 |
Rpim | 0.047 | 0.017 | 0.269 |
Total number of observations | 2008 | 12513 | |
Number of reflections | 36222 | 649 | 3485 |
<I/σ(I)> | 9.7 | 24.3 | 2.3 |
Completeness [%] | 99.7 | 92 | 99.7 |
Redundancy | 3.6 | 3.1 | 3.6 |
CC(1/2) | 0.997 | 0.998 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 296 | Tris, Ammonium sulfate, PEG 8000 |