7VQ9

Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	C 1 2 1
Unit cell lengths	111.899, 81.308, 60.023
Unit cell angles	90.00, 103.46, 90.00

Refinement procedure

Resolution	35.880 - 1.890
R-factor	0.1444
Rwork	0.142
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7caq
RMSD bond length	0.012
RMSD bond angle	1.700
Data reduction software	SAINT
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.880	24.510	1.920
High resolution limit [Å]	1.870	8.990	1.870
Rmerge	0.055	0.036	0.260
Rmeas	0.059	0.039	0.305
Rpim	0.020	0.013	0.156
Total number of observations		3345	7708
Number of reflections	41757	384	2253
<I/σ(I)>	20.8	51.2	4.3
Completeness [%]	98.7	95.1	83
Redundancy	7.4	8.7	3.4
CC(1/2)	0.999	0.999	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	1.5M ammonium sulfate, 0.1M Tris (pH 8.0), 12% glycerol