8SSC

Full-Length Methionine synthase from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 41 21 2
Unit cell lengths	134.804, 134.804, 174.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	106.640 - 2.750
R-factor	0.20444
Rwork	0.202
R-free	0.25258
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.270
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.640	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.191	1.600
Rmeas	0.197	1.673
Rpim	0.049	0.481
Total number of observations	669916	51333
Number of reflections	42467	4373
<I/σ(I)>	12.3	1.8
Completeness [%]	100.0
Redundancy	15.8	11.7
CC(1/2)	0.993	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	0.2 M trimethylamine N-oxide, 0.1 M Tris-HCl, pH 8.5, 20% (w/v) Polyethylene glycol monomethylethe