9YCE

Active site of MtgB, a glycine betaine methyltransferase from the MttB superfamily

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.075
Spacegroup name	P 32 2 1
Unit cell lengths	123.465, 123.465, 123.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.260 - 2.350
R-factor	0.192
Rwork	0.191
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.924	2.389
High resolution limit [Å]	2.349	2.349
Rmerge	0.092	1.251
Rmeas	0.097	1.288
Rpim	0.021	0.269
Number of reflections	45582	2253
<I/σ(I)>	21.3	2.5
Completeness [%]	99.4	100
Redundancy	21.3	22.5
CC(1/2)	1.000	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM Imidazole, 1.0 M sodium citrate, pH 8.0
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM Imidazole, 1.0 M sodium citrate, pH 8.0