7L73
Crystal structure of the first bromodomain (BD1) of human BRDT bound to ERK5-IN-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9700 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.370, 23.570, 58.450 |
Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
Resolution | 40.812 - 1.460 |
R-factor | 0.1706 |
Rwork | 0.170 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vbq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1-2575_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.812 | 40.812 | 1.500 |
High resolution limit [Å] | 1.460 | 6.530 | 1.460 |
Rmerge | 0.044 | 0.020 | 0.407 |
Rmeas | 0.052 | 0.024 | 0.486 |
Total number of observations | 68881 | ||
Number of reflections | 19695 | 248 | 1429 |
<I/σ(I)> | 17.67 | 42.67 | 3.1 |
Completeness [%] | 99.4 | 96.1 | 99.9 |
Redundancy | 3.497 | 3.149 | 3.339 |
CC(1/2) | 0.999 | 0.999 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05 M (NH4)2SO4, 0.05 M Bis-tris (pH 6.5), and 30 % Pentaerythritol ethoxylate |