7A2M
Crystal structure of the Fyn SH3 domain A95S-D99T mutant in C21 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976251 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.694, 47.048, 42.712 |
Unit cell angles | 90.00, 97.42, 90.00 |
Refinement procedure
Resolution | 19.700 - 1.500 |
R-factor | 0.2146 |
Rwork | 0.213 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ua6 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.700 | 19.700 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.046 | 0.038 | 0.638 |
Rmeas | 0.056 | 0.048 | 0.827 |
Rpim | 0.032 | 0.029 | 0.518 |
Total number of observations | 323 | 1915 | |
Number of reflections | 37874 | 133 | 935 |
<I/σ(I)> | 9 | 28.8 | 1 |
Completeness [%] | 96.9 | 88.9 | 83.2 |
Redundancy | 2.7 | 2.4 | 2 |
CC(1/2) | 0.998 | 0.998 | 0.784 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 4.5 M sodium formate, 0.1 sodium acetate |