7TWL

Structure of a borosin methyltransferase from Mycena rosella with peptide A2 (MroMA2) in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	69.112, 125.228, 203.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.860
R-factor	0.19
Rwork	0.188
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7twk
RMSD bond length	0.005
RMSD bond angle	1.174
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.800	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.103
Number of reflections	148570	7320
<I/σ(I)>	16
Completeness [%]	100.0	100
Redundancy	14.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	282	20% PEG 8000, 3% MPD and 100 mM imidazole