7A2Y
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0
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 | 2017-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.878, 32.916, 62.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.630 - 0.970 |
R-factor | 0.1325 |
Rwork | 0.132 |
R-free | 0.14610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ua6 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.630 | 17.630 | 1.030 |
High resolution limit [Å] | 0.970 | 3.080 | 0.970 |
Rmerge | 0.032 | 0.020 | 0.428 |
Rmeas | 0.035 | 0.022 | 0.467 |
Rpim | 0.014 | 0.009 | 0.184 |
Total number of observations | 243421 | 8417 | 31917 |
Number of reflections | 37886 | 1389 | 5183 |
<I/σ(I)> | 21.2 | 70.3 | 2.9 |
Completeness [%] | 93.6 | 97.1 | 89.2 |
Redundancy | 6.4 | 6.1 | 6.2 |
CC(1/2) | 1.000 | 0.999 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 0.5 M ammonium sulfate, 0.1 sodium acetate |