6BOX

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

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	2015-11-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	125.625, 71.255, 87.239
Unit cell angles	90.00, 120.37, 90.00

Refinement procedure

Resolution	54.192 - 2.412
R-factor	0.2333
Rwork	0.231
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mvh
RMSD bond length	0.002
RMSD bond angle	0.532
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.205	2.509
High resolution limit [Å]	2.410	2.412
Rpim	0.069	0.703
Number of reflections	24906
<I/σ(I)>	9.7
Completeness [%]	96.7
Redundancy	4.4
CC(1/2)	0.991	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	200 mM calcium acetate, 100 mM Imidazole, pH 7.5, 15% PEG 8,000