7NER
Crystal structure of the v-Src SH3 domain Q128R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 22.342, 34.978, 31.140 |
| Unit cell angles | 90.00, 96.40, 90.00 |
Refinement procedure
| Resolution | 19.080 - 1.550 |
| R-factor | 0.1481 |
| Rwork | 0.147 |
| R-free | 0.16220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xvn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.892 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.950 | 30.950 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.054 | 0.026 | 0.338 |
| Rmeas | 0.067 | 0.032 | 0.421 |
| Rpim | 0.039 | 0.019 | 0.247 |
| Total number of observations | 580 | 2624 | |
| Number of reflections | 6888 | 227 | 1010 |
| <I/σ(I)> | 10.4 | 29.2 | 2.4 |
| Completeness [%] | 98.0 | 93.5 | 96.8 |
| Redundancy | 2.7 | 2.6 | 2.6 |
| CC(1/2) | 0.998 | 0.999 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 283 | 2.1 M ammonium sulfate, 5% PEG 200, 10% glycerol, 40 mM LiCl and 0.1M sodium acetate |
