5VOP

Methionine synthase folate-binding domain from Thermus thermophilus HB8 native

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	PIXEL
Collection date	2016-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 61 2 2
Unit cell lengths	111.482, 111.482, 242.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.440 - 2.100
R-factor	0.19563
Rwork	0.194
R-free	0.22188
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5von
RMSD bond length	0.009
RMSD bond angle	1.420
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.440	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.750
Rpim	0.028	0.238
Number of reflections	52825	4213
<I/σ(I)>	13.1	1.9
Completeness [%]	99.9	99.9
Redundancy	10.6	10.2
CC(1/2)	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	0.1 M Sodium Citrate pH 4.5, 18 % polyethylene glycol 3350, 0.2 M tri-Sodium Citrate