9CBR

Methionine synthase from Thermus thermophilus HB8, Homocysteine, Folate, and Cobalamin Domains, Catalytic Conformation (Hcy-on)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	70.811, 115.101, 120.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.330 - 2.380
R-factor	0.19565
Rwork	0.195
R-free	0.21668
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	2.056
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	120.790	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.549	4.166
Rmeas	0.605	4.604
Rpim	0.251	1.922
Total number of observations		19913
Number of reflections	39748	3707
<I/σ(I)>	3.8	0.6
Completeness [%]	98.8
Redundancy	5.6	5.4
CC(1/2)	0.908	0.221

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	20% PEG 3350, 0.1 M Tris (pH 8.5), and 0.2 M NaCl