7VQB

Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-29
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	C 1 2 1
Unit cell lengths	111.642, 80.778, 59.806
Unit cell angles	90.00, 103.56, 90.00

Refinement procedure

Resolution	33.040 - 2.110
R-factor	0.1562
Rwork	0.154
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7caq
RMSD bond length	0.009
RMSD bond angle	1.532
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]	33.040	24.700	2.010
High resolution limit [Å]	1.960	9.000	1.960
Rmerge	0.109	0.031	0.652
Rmeas	0.121	0.035	0.790
Rpim	0.051	0.015	0.433
Total number of observations		2014	4053
Number of reflections	33955	371	1509
<I/σ(I)>	9.7	31.5	1.5
Completeness [%]	97.2	95.3	61.1
Redundancy	5.3	5.4	2.7
CC(1/2)	0.997	0.999	0.674

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