7A2S
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-22 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.134, 32.365, 60.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.350 - 1.020 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.17480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ua6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.043 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 17.350 | 17.350 | 1.040 |
| High resolution limit [Å] | 1.020 | 5.590 | 1.020 |
| Rmerge | 0.041 | 0.038 | 0.450 |
| Rmeas | 0.047 | 0.043 | 0.532 |
| Rpim | 0.021 | 0.021 | 0.276 |
| Total number of observations | 915 | 3877 | |
| Number of reflections | 52930 | 208 | 1190 |
| <I/σ(I)> | 15.5 | 45.1 | 2.2 |
| Completeness [%] | 97.9 | 96.3 | 85.1 |
| Redundancy | 4.6 | 4.4 | 3.3 |
| CC(1/2) | 0.999 | 0.997 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 2.0 ammonium sulfate, 0.1M sodium acetate |
