8WS1
Crystal structure of human NEK7 D161N mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.894, 87.894, 155.319 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.990 - 2.400 |
R-factor | 0.18234 |
Rwork | 0.179 |
R-free | 0.23837 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5de2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.529 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.990 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 27883 | 4011 |
<I/σ(I)> | 14.9 | 2.5 |
Completeness [%] | 100.0 | |
Redundancy | 10.1 | |
CC(1/2) | 0.999 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1 M Tris pH 8.4, PEG 8000 15% |