6IRW

Crystal structure of the human cap-specific adenosine methyltransferase bound to SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	70.215, 120.379, 156.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.989 - 2.900
R-factor	0.209
Rwork	0.208
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6irx
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.990	47.990	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge	0.117	0.040	0.682
Rmeas	0.127	0.043	0.738
Rpim	0.049	0.018	0.282
Total number of observations	202713
Number of reflections	30286	1077	4338
<I/σ(I)>	10.6
Completeness [%]	100.0	99.5	100
Redundancy	6.7	5.9	6.8
CC(1/2)	0.998	0.998	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	9% PEG 3350, 0.2M sodium nitrate, 0.1M bis-Tris propane