7A2S
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-22 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9660 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.134, 32.365, 60.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.350 - 1.020 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.17480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ua6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.043 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.350 | 17.350 | 1.040 |
High resolution limit [Å] | 1.020 | 5.590 | 1.020 |
Rmerge | 0.041 | 0.038 | 0.450 |
Rmeas | 0.047 | 0.043 | 0.532 |
Rpim | 0.021 | 0.021 | 0.276 |
Total number of observations | 915 | 3877 | |
Number of reflections | 52930 | 208 | 1190 |
<I/σ(I)> | 15.5 | 45.1 | 2.2 |
Completeness [%] | 97.9 | 96.3 | 85.1 |
Redundancy | 4.6 | 4.4 | 3.3 |
CC(1/2) | 0.999 | 0.997 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 2.0 ammonium sulfate, 0.1M sodium acetate |