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