8XTE

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 32
Unit cell lengths	208.769, 208.769, 67.217
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.920 - 1.990
R-factor	0.1715
Rwork	0.170
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.004
RMSD bond angle	0.714
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]	47.970	2.030
High resolution limit [Å]	1.990	1.990
Rmerge	0.159	0.938
Rmeas	0.177	1.045
Rpim	0.077	0.456
Total number of observations		54830
Number of reflections	222904	10735
<I/σ(I)>	8.1	1.9
Completeness [%]	99.8
Redundancy	5.2	5.1
CC(1/2)	0.995	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	15% PEG3350, 0.1M Sodium cacodylate, pH 6.0 and 0.2 M sodium chloride