7DWH

Complex structure of SAM-dependent methyltransferase ribozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97928
Spacegroup name	P 1 21 1
Unit cell lengths	62.923, 77.305, 101.469
Unit cell angles	90.00, 93.24, 90.00

Refinement procedure

Resolution	29.534 - 3.100
R-factor	0.2114
Rwork	0.209
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dlz
RMSD bond length	0.003
RMSD bond angle	0.667
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.210
High resolution limit [Å]	3.100	6.660	3.100
Rmerge	0.097	0.075	0.236
Rmeas	0.108	0.081	0.278
Rpim	0.045	0.032	0.143
Total number of observations	81837
Number of reflections	17380	1833	1595
<I/σ(I)>	8.3
Completeness [%]	97.7	99.7	90.9
Redundancy	4.7	6.3	2.9
CC(1/2)		0.996	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	291	sodium phosphate monobasic monohydrate, polyethylene glycol 3350