5QXM
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789
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 | 80.769, 80.769, 140.797 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.060 - 1.500 |
R-factor | 0.1648 |
Rwork | 0.164 |
R-free | 0.17860 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3dai |
RMSD bond length | 0.014 |
RMSD bond angle | 1.991 |
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] | 28.160 | 28.160 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.074 | 0.032 | 0.810 |
Rmeas | 0.076 | 0.033 | 0.832 |
Rpim | 0.017 | 0.008 | 0.187 |
Total number of observations | 853799 | 10483 | 58566 |
Number of reflections | 44064 | ||
<I/σ(I)> | 26 | 81.6 | 4 |
Completeness [%] | 99.7 | 98.7 | 96.4 |
Redundancy | 19.4 | 17.4 | 19 |
CC(1/2) | 1.000 | 1.000 | 0.912 |
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 |