8C4F
Small molecule amidine soak in 14-3-3/ERa (AZ037)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033200 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.703, 111.843, 62.472 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.360 - 1.400 |
R-factor | 0.1847 |
Rwork | 0.184 |
R-free | 0.20140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.958 |
Data reduction software | DIALS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.970 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 56617 | 2865 |
<I/σ(I)> | 15.3 | |
Completeness [%] | 100.0 | |
Redundancy | 6.4 | |
CC(1/2) | 0.999 | 0.372 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.7), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |