5QU6
Crystal Structure of swapped human Nck SH3.1 domain, 1.8A, triclinic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 49.083, 92.053, 114.748 |
Unit cell angles | 103.02, 91.63, 88.57 |
Refinement procedure
Resolution | 53.083 - 1.816 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.008 |
RMSD bond angle | 0.907 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12rc1_2801) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.083 | 53.083 | 1.860 |
High resolution limit [Å] | 1.810 | 8.090 | 1.810 |
Rmerge | 0.052 | 0.013 | 2.950 |
Rmeas | 0.070 | 0.017 | 3.998 |
Total number of observations | 337282 | ||
Number of reflections | 170464 | 1939 | 12397 |
<I/σ(I)> | 8.43 | 43.29 | 0.27 |
Completeness [%] | 95.6 | 97.6 | 94.5 |
Redundancy | 1.98 | 2.127 | 1.968 |
CC(1/2) | 0.999 | 0.999 | 0.122 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Bis-Tris/HCl pH 6.5, 2% tacsimate pH 6.0, 20% PEG 3350 |