3TO6
Crystal structure of yeast Esa1 HAT domain complexed with H4K16CoA bisubstrate inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2011-02-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 183.282, 183.282, 183.282 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.463 - 2.100 |
R-factor | 0.1908 |
Rwork | 0.189 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mja |
RMSD bond length | 0.008 |
RMSD bond angle | 1.167 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.127 | 0.457 |
Number of reflections | 30856 | |
<I/σ(I)> | 42.4 | 12.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 42.1 | 40.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M sodium cacodylate, 1.6 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |