6V90
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96770 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 45.360, 104.639, 168.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.470 - 2.040 |
R-factor | 0.1996 |
Rwork | 0.198 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal |
RMSD bond length | 0.014 |
RMSD bond angle | 1.617 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.470 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.059 | 1.359 |
Rmeas | 0.064 | 1.465 |
Rpim | 0.025 | 0.543 |
Total number of observations | 17856 | |
Number of reflections | 26016 | 2497 |
<I/σ(I)> | 17.4 | 1.5 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 6.8 | 7.2 |
CC(1/2) | 0.999 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | INDEX F6. 0.1 M Bis-Tris pH 5.5, 0.2 M ammonium sulfate 25% w/v PEG 3350. The crystal was cryoprotected with MiTeGen Low Viscosity Cryo Oil |