5YLT

Crystal structure of SET7/9 in complex with a cyproheptadine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.980
Spacegroup name	P 21 21 2
Unit cell lengths	110.176, 34.963, 67.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.772 - 1.690
R-factor	0.1697
Rwork	0.168
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ayf
RMSD bond length	0.006
RMSD bond angle	0.885
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.690	1.690
Rmeas	0.117	1.425
Rpim	0.046	0.604
Number of reflections	30706	1473
<I/σ(I)>	22.6	1.9
Completeness [%]	99.9	99.3
Redundancy	6.3	5.4
CC(1/2)		0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M TRIS-HCL PH 8.5, 34% PEG 6000