6PGU
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-26 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.253, 97.599, 105.932 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.720 |
R-factor | 0.1673 |
Rwork | 0.165 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 2.033 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
High resolution limit [Å] | 1.720 | 3.710 | 1.720 |
Rmerge | 0.065 | 0.040 | 0.927 |
Rmeas | 0.067 | 0.043 | |
Rpim | 0.026 | 0.016 | 0.401 |
Total number of observations | 532874 | ||
Number of reflections | 73618 | 7730 | 7265 |
<I/σ(I)> | 10.8 | ||
Completeness [%] | 100.0 | 99.9 | 99.7 |
Redundancy | 7.2 | 7.1 | 6.1 |
CC(1/2) | 0.998 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 20% MPD, 0.1 M Tris pH 8, 7.5% PEG-MME 5000 |