7A2Q
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 3.0 with PEG
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 | 2018-05-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.120, 32.034, 59.573 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.210 - 0.940 |
R-factor | 0.1588 |
Rwork | 0.159 |
R-free | 0.16100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ua6 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.030 | 32.030 | 0.990 |
High resolution limit [Å] | 0.940 | 2.980 | 0.940 |
Rmerge | 0.037 | 0.041 | 0.540 |
Rmeas | 0.041 | 0.046 | 0.619 |
Rpim | 0.017 | 0.019 | 0.295 |
Total number of observations | 210908 | 7199 | 20767 |
Number of reflections | 36440 | 1287 | 5072 |
<I/σ(I)> | 24.5 | 53.6 | 2.1 |
Completeness [%] | 99.3 | 99 | 96.7 |
Redundancy | 5.8 | 5.6 | 4.1 |
CC(1/2) | 0.998 | 0.996 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 5% PEG 300, 5 mM beta-cyclodextrin, 2.0 ammonium sulfate, 0.1M sodium citrate |