7A2N
Crystal structure of the Fyn SH3 domain A95S-D99T mutant in space group P21
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 | P 1 21 1 |
Unit cell lengths | 42.176, 47.795, 73.089 |
Unit cell angles | 90.00, 98.35, 90.00 |
Refinement procedure
Resolution | 19.940 - 1.400 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.20350 |
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] | 19.940 | 19.940 | 1.420 |
High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
Rmerge | 0.080 | 0.042 | 0.845 |
Rmeas | 0.094 | 0.050 | 0.999 |
Rpim | 0.049 | 0.026 | 0.524 |
Total number of observations | 1175 | 9752 | |
Number of reflections | 104035 | 359 | 2796 |
<I/σ(I)> | 8.5 | 21 | 1.4 |
Completeness [%] | 98.8 | 93.6 | 99.6 |
Redundancy | 3.4 | 3.3 | 3.5 |
CC(1/2) | 0.998 | 0.998 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 4.5 M sodium formate, 0.1 sodium acetate |