7VLN
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.120, 70.120, 230.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.364 - 3.090 |
R-factor | 0.294329894931 |
Rwork | 0.292 |
R-free | 0.34524 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xcg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.337 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.364 | 3.170 |
High resolution limit [Å] | 3.090 | 3.090 |
Rpim | 0.043 | 0.442 |
Number of reflections | 12759 | 912 |
<I/σ(I)> | 18.9 | |
Completeness [%] | 99.8 | |
Redundancy | 19.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.6 M ammonium sulfate, 0.01 M magnesium chloride, 0.1 M HEPES, pH 7.5 |