7A2Z
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 6.0
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 | 32.540, 33.629, 61.985 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.990 - 1.140 |
R-factor | 0.1645 |
Rwork | 0.163 |
R-free | 0.19480 |
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] | 33.630 | 33.630 | 1.200 |
High resolution limit [Å] | 1.140 | 3.600 | 1.140 |
Rmerge | 0.034 | 0.021 | 0.517 |
Rmeas | 0.037 | 0.023 | 0.563 |
Rpim | 0.015 | 0.009 | 0.222 |
Total number of observations | 150647 | 5243 | 22072 |
Number of reflections | 24646 | 921 | 3537 |
<I/σ(I)> | 19.6 | 61.2 | 2.5 |
Completeness [%] | 96.2 | 99.6 | 95.6 |
Redundancy | 6.1 | 5.7 | 6.2 |
CC(1/2) | 1.000 | 0.999 | 0.877 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1 M ammonium sulfate, 0.1 sodium acetate |