7A2W
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 3.0
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 | 32.905, 32.884, 62.796 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.690 - 0.990 |
R-factor | 0.1322 |
Rwork | 0.131 |
R-free | 0.15150 |
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 (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.690 | 18.690 | 1.040 |
High resolution limit [Å] | 0.990 | 3.130 | 0.990 |
Rmerge | 0.082 | 0.069 | 0.525 |
Rmeas | 0.086 | 0.072 | 0.546 |
Rpim | 0.023 | 0.020 | 0.147 |
Total number of observations | 18299 | 74434 | |
Number of reflections | 71263 | 1368 | 5515 |
<I/σ(I)> | 19.6 | 60.5 | 2.9 |
Completeness [%] | 99.9 | 99.6 | 99.5 |
Redundancy | 13.9 | 13.4 | 13.5 |
CC(1/2) | 0.996 | 0.992 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3 | 298 | 0.5 M ammonium sulfate, 0.1 sodium citrate |