5QU7
Crystal Structure of swapped human Nck SH3.1 domain, 1.3A, orthorhombic form III
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 | 2019-05-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00005 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.070, 48.870, 55.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.590 - 1.270 |
R-factor | 0.1738 |
Rwork | 0.171 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.009 |
RMSD bond angle | 1.521 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.590 | 36.590 | 1.300 |
High resolution limit [Å] | 1.270 | 5.680 | 1.270 |
Rmerge | 0.069 | 0.056 | 3.425 |
Rmeas | 0.075 | 0.062 | 4.169 |
Total number of observations | 178907 | ||
Number of reflections | 28241 | 393 | 1521 |
<I/σ(I)> | 9.49 | 27.37 | 0.25 |
Completeness [%] | 96.5 | 99.5 | 72.1 |
Redundancy | 6.34 | 5.939 | 2.947 |
CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 8% tacsimate pH 5, 20% PEG 3350 |