4YMH

Crystal structure of SAH-bound Podospora anserina methyltransferase PaMTH1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 21 21 2
Unit cell lengths	84.233, 239.295, 50.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.774 - 1.876
R-factor	0.1653
Rwork	0.164
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qvk
RMSD bond length	0.008
RMSD bond angle	1.062
Data reduction software	XDS (xdsapp 1.1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.774	1.919
High resolution limit [Å]	1.876	1.876
Rmerge	0.117
Number of reflections	84455
<I/σ(I)>	13	2.3
Completeness [%]	99.5	97
Redundancy	6.61	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1 M Lithium sulfate, 0.1 M Bis-Tris, 25% PEG3350