5QXL
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 80.169, 80.169, 139.648 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.840 - 1.570 |
R-factor | 0.1583 |
Rwork | 0.158 |
R-free | 0.17460 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3dai |
RMSD bond length | 0.011 |
RMSD bond angle | 1.817 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.23) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.930 | 27.930 | 1.610 |
High resolution limit [Å] | 1.570 | 7.000 | 1.570 |
Rmerge | 0.076 | 0.028 | 0.874 |
Rmeas | 0.078 | 0.029 | 0.899 |
Rpim | 0.018 | 0.007 | 0.204 |
Total number of observations | 726325 | 9013 | 50441 |
Number of reflections | 38041 | ||
<I/σ(I)> | 26.5 | 84 | 3.5 |
Completeness [%] | 99.8 | 98.6 | 97.7 |
Redundancy | 19.1 | 17.1 | 18.7 |
CC(1/2) | 0.999 | 0.999 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5 |