6MRO

Crystal structure of methyl transferase from Methanosarcina acetivorans at 1.6 Angstroms resolution, Northeast Structural Genomics Consortium (NESG) Target MvR53.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 43
Unit cell lengths	40.990, 40.990, 104.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.990 - 1.600
R-factor	0.1809
Rwork	0.179
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nec
RMSD bond length	0.006
RMSD bond angle	0.949
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.990	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.095	1.458
Rpim	0.038	0.617
Number of reflections	22761	2267
<I/σ(I)>	12.54	1.27
Completeness [%]	99.6	99.96
Redundancy	7.3	6.5
CC(1/2)	0.999	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293.15	0.2M Calcium chloride dihydrate 0.1M MES 6.0 20% w/v PEG-6000