7A2T
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 4.0
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) | 0.96600 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.035, 32.527, 60.673 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.390 - 1.220 |
R-factor | 0.1719 |
Rwork | 0.170 |
R-free | 0.20260 |
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 (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.400 | 17.390 | 1.240 |
High resolution limit [Å] | 1.220 | 6.700 | 1.220 |
Rmerge | 0.029 | 0.018 | 0.493 |
Rmeas | 0.034 | 0.021 | 0.565 |
Rpim | 0.017 | 0.010 | 0.268 |
Total number of observations | 438 | 3421 | |
Number of reflections | 31050 | 120 | 807 |
<I/σ(I)> | 19.6 | 71.8 | 2.6 |
Completeness [%] | 97.6 | 92 | 99.7 |
Redundancy | 4.1 | 3.7 | 4.2 |
CC(1/2) | 0.994 | 0.999 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 1 ammonium sulfate, 0.1M sodium acetate |