8SDO
ATAD2 bromodomain in complex with "oncohistone" mutation H4S1CK5ac (res 1-15) ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 293 |
Detector technology | CMOS |
Collection date | 2021-04-12 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0722 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 53.941, 53.941, 159.522 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.460 - 2.010 |
R-factor | 0.2021 |
Rwork | 0.201 |
R-free | 0.23050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.890 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.460 | 2.082 |
High resolution limit [Å] | 2.010 | 2.010 |
Number of reflections | 16480 | 1529 |
<I/σ(I)> | 18.91 | |
Completeness [%] | 99.5 | |
Redundancy | 13.4 | |
CC(1/2) | 0.999 | 0.372 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 2.4 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.4 |