8XTF

Crystal structure of methyltransferase MpaG' in complex with SAH and FDHMP-3C

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-04
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	H 3 2
Unit cell lengths	211.754, 211.754, 67.424
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.910 - 2.130
R-factor	0.1711
Rwork	0.169
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.832
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.360	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.074	0.433
Rmeas	0.105	0.612
Rpim	0.074	0.433
Total number of observations		5160
Number of reflections	32213	2619
<I/σ(I)>	6.2	1.5
Completeness [%]	100.0
Redundancy	2	2
CC(1/2)	0.994	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	10%PEG 8000, 0.1 M CHES, pH 9.5 and 0.2 M sodium chloride