5QUA
Crystal Structure of swapped human Nck SH3.1 domain, 1.5A, C2221
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 | C 2 2 21 |
Unit cell lengths | 53.600, 85.190, 56.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.320 - 1.510 |
R-factor | 0.2014 |
Rwork | 0.200 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.723 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.320 | 35.320 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.026 | 0.017 | |
Rmeas | 0.029 | 0.019 | |
Total number of observations | 134090 | ||
Number of reflections | 20939 | 274 | 1497 |
<I/σ(I)> | 21.87 | 85.24 | 0.14 |
Completeness [%] | 99.7 | 97.2 | 97.5 |
Redundancy | 6.4 | 5.653 | 6.505 |
CC(1/2) | 1.000 | 0.999 |
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 M ammonium sulfate |