7PVX
Crystal structure of the c-Src SH3 domain mutant E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H in complex with the synthetic peptide VSL12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.77490 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.991, 59.658, 37.349 |
Unit cell angles | 90.00, 98.62, 90.00 |
Refinement procedure
Resolution | 24.490 - 1.430 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rtz |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.400 | 31.400 | 1.460 |
High resolution limit [Å] | 1.430 | 7.850 | 1.430 |
Rmerge | 0.046 | 0.035 | 0.429 |
Rmeas | 0.055 | 0.043 | 0.515 |
Rpim | 0.031 | 0.024 | 0.281 |
Total number of observations | 72066 | 398 | 3729 |
Number of reflections | 22814 | 143 | 1144 |
<I/σ(I)> | 11.6 | 29 | 2.2 |
Completeness [%] | 98.8 | 92.7 | 99.9 |
Redundancy | 3.2 | 2.8 | 3.3 |
CC(1/2) | 0.997 | 0.996 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 2.0 M ammonium sulfate, 40 mM LiCl, 5% PEG 300, 10% glicerol, 0.1M MES |