6BP4

Structure of the S. pombe Clr4 catalytic domain bound to SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	131.919, 71.040, 96.674
Unit cell angles	90.00, 125.06, 90.00

Refinement procedure

Resolution	59.349 - 2.770
R-factor	0.2248
Rwork	0.223
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mvh
RMSD bond length	0.006
RMSD bond angle	0.585
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.140	2.984
High resolution limit [Å]	2.770	2.770
Rmerge	0.125	0.712
Rpim	0.084	0.480
Number of reflections	14482	1958
<I/σ(I)>	6.5
Completeness [%]	77.2
Redundancy	2.94
CC(1/2)	0.995	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M magnesium formate dihydrate and 20 % PEG 3350