8PHA

O(S)-methyltransferase from Pleurotus sapidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	97.363, 109.116, 192.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 2.020
R-factor	0.1728
Rwork	0.171
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.770
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.230	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.092	0.891
Rmeas	0.101	0.978
Rpim	0.042	0.395
Number of reflections	119562	5979
<I/σ(I)>	9.5	2.1
Completeness [%]	96.5
Redundancy	5.8	5.9
CC(1/2)	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	15%(w/v) PEG 3K, 20%(v/v) 1,2,4-butanetriol, 1%(w/v) NDSB 256 0.01 M of each Polyamine 0.1 M GlyGly/AMPD. AMPD: 2-amino-2-methyl-1,3-propanediol; NDSB 256 Surfactant (PDB ID: DMX) Polyamine: Spermine 4 HCl (PDB ID: SPM), Sermidine 3 HCl (PDB ID: SPD), 1,4Diaminobutane 2 HCl (PDB ID:PUT), DL-Ornithine HCl (PDB ID:ORD/ORN)