6DCB

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	118.280, 118.280, 78.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.373 - 1.998
R-factor	0.1619
Rwork	0.160
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5una
RMSD bond length	0.006
RMSD bond angle	0.956
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]	62.373	62.373	2.050
High resolution limit [Å]	1.998	8.940	1.998
Rmerge	0.069	0.039	0.752
Rmeas	0.072	0.041	0.784
Total number of observations	546849
Number of reflections	42441	505	3075
<I/σ(I)>	20.94	54.14	3.33
Completeness [%]	99.9	99.8	98.6
Redundancy	12.885	12.01	12.448
CC(1/2)	0.999	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	277	crystallization solution 0.214 M lithium sulfate, 0.1 M phosphate/citrate, pH 4.2, 17.25% w/v PEG 1,000 mixed 1:2 volume ratio to 10 mg/mL protein:RNA complex solution