6Z2A

Structure of Clr4 mutant - F256A/F310A/F427A bound to SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979500
Spacegroup name	P 21 21 2
Unit cell lengths	92.444, 110.288, 70.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.680 - 2.456
R-factor	0.23909
Rwork	0.239
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6box
RMSD bond length	0.006
RMSD bond angle	1.494
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.680	2.680
High resolution limit [Å]	2.456	2.456
Rmerge	0.214	0.898
Rmeas	0.233	1.046
Rpim	0.093	0.525
Number of reflections	19571	979
<I/σ(I)>	6.6	1.4
Completeness [%]	72.2
Redundancy	6.1
CC(1/2)	0.993	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	71.4 mM MES, 28.6 mM Imidazole, 20% PEG 10000, 30mM Magnesium Acetate, 6.6% v/v MPD, 6.6% v/v PEG 1000, 6.6% v/v PEG 3350