4TT4
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2013-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 108.160, 115.680, 77.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.010 - 2.700 |
R-factor | 0.2161 |
Rwork | 0.215 |
R-free | 0.24040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.008 |
RMSD bond angle | 1.215 |
Data scaling software | Aimless (0.1.27) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.840 | 57.840 | 2.830 |
High resolution limit [Å] | 2.700 | 8.960 | 2.700 |
Rmerge | 0.200 | 0.062 | 0.818 |
Rpim | 0.084 | 0.025 | 0.335 |
Total number of observations | 91579 | 2761 | 12590 |
Number of reflections | 13680 | ||
<I/σ(I)> | 6 | 14.1 | 2.2 |
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 6.7 | 6.5 | 7 |
CC(1/2) | 0.992 | 0.998 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 278 | 2.0M Ammonium sulfate, 100mM Tris pH8.5. |