6DCC

Structure of methylphosphate capping enzyme methyltransferase domain in complex with 5' end of 7SK RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 63
Unit cell lengths	119.690, 119.690, 77.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.827 - 2.100
R-factor	0.1772
Rwork	0.175
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5una
RMSD bond length	0.007
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.827	51.827	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.056	0.027	0.780
Rmeas	0.062	0.031	0.870
Total number of observations	190193
Number of reflections	37061	442	2712
<I/σ(I)>	15.61	46.24	1.9
Completeness [%]	99.8	98.9	99.8
Redundancy	5.132	4.749	5.196
CC(1/2)	0.999	0.998	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	277	crystallization solution 0.2M Lithium sulfate, 0.1M phosphate/citrate, pH 4.2, 25% w/v PEG mixed 1:2 volume ratio to 10 mg/mL protein:RNA complex. Crystals were soaked in crystallization solution supplemented with 1.2mM MgCl2 for 2hrs prior to freezing.