5QU4
Crystal Structure of swapped human Nck SH3.1 domain, 1.05A, orthorhombic form I
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 21 21 21 |
Unit cell lengths | 52.213, 57.482, 85.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.730 - 1.050 |
R-factor | 0.1549 |
Rwork | 0.153 |
R-free | 0.18610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.186 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.730 | 47.730 | 1.080 |
High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
Rmerge | 0.064 | 0.040 | 4.337 |
Rmeas | 0.069 | 0.043 | 4.738 |
Total number of observations | 815521 | ||
Number of reflections | 120355 | 1523 | 8782 |
<I/σ(I)> | 9.38 | 36.74 | 0.32 |
Completeness [%] | 100.0 | 99.7 | 99.9 |
Redundancy | 6.78 | 6.703 | 6.195 |
CC(1/2) | 0.998 | 0.994 | 0.176 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M KSCN, 30% PEG-MME 2000 |