7A2K
Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97879 |
Spacegroup name | P 1 |
Unit cell lengths | 42.811, 43.337, 43.346 |
Unit cell angles | 65.27, 83.42, 83.39 |
Refinement procedure
Resolution | 19.490 - 1.500 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.23580 |
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] | 19.490 | 19.490 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.020 | 0.014 | 0.398 |
Rmeas | 0.028 | 0.020 | 0.563 |
Rpim | 0.020 | 0.014 | 0.398 |
Total number of observations | 434 | 3756 | |
Number of reflections | 66932 | 231 | 2066 |
<I/σ(I)> | 7.3 | 17.7 | 1.3 |
Completeness [%] | 93.3 | 85.2 | 93.4 |
Redundancy | 1.8 | 1.9 | 1.8 |
CC(1/2) | 0.999 | 0.999 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 4.5M sodium formate, 0.1M Hepes |