7DHL
Crystal structure of FGFR3 in complex with pyrimidine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 2010-12-10 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.140, 61.400, 59.895 |
Unit cell angles | 90.00, 112.88, 90.00 |
Refinement procedure
Resolution | 44.350 - 2.570 |
R-factor | 0.1965 |
Rwork | 0.193 |
R-free | 0.25350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2psq |
RMSD bond length | 0.005 |
RMSD bond angle | 1.375 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.350 | 44.350 | 2.680 |
High resolution limit [Å] | 2.570 | 8.900 | 2.570 |
Rmerge | 0.058 | 0.024 | 0.454 |
Rmeas | 0.068 | 0.029 | 0.530 |
Rpim | 0.035 | 0.016 | 0.272 |
Total number of observations | 38332 | 825 | 4743 |
Number of reflections | 10336 | 248 | 1276 |
<I/σ(I)> | 11.8 | 28.4 | 2.2 |
Completeness [%] | 99.6 | 92.4 | 99.4 |
Redundancy | 3.7 | 3.3 | 3.7 |
CC(1/2) | 0.999 | 0.999 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | Citric Acid, Ammonium dihydrogen phosphate, PEG 3350 |