8SDX
ATAD2B bromodomain in complex with histone H4 acetylated at lysine 5 with Serine 1 mutation to Cysteine
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] | 100 |
Detector technology | CMOS |
Collection date | 2021-04-20 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.072 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.687, 79.629, 64.348 |
Unit cell angles | 90.00, 105.14, 90.00 |
Refinement procedure
Resolution | 33.520 - 2.690 |
R-factor | 0.2262 |
Rwork | 0.224 |
R-free | 0.26040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.409 |
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] | 33.520 | 2.780 |
High resolution limit [Å] | 2.690 | 2.690 |
Rmerge | 0.124 | 1.626 |
Number of reflections | 12940 | 1036 |
<I/σ(I)> | 7.63 | |
Completeness [%] | 96.5 | |
Redundancy | 3.7 | |
CC(1/2) | 0.995 | 0.374 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M Ammonium sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350 |