6R36

T. brucei farnesyl pyrophosphate synthase (FPPS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999740
Spacegroup name	P 61 2 2
Unit cell lengths	60.490, 60.490, 340.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.650 - 1.670
R-factor	0.221
Rwork	0.219
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ryp
RMSD bond length	0.010
RMSD bond angle	0.930
Data reduction software	XDS (20180126)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.384	1.883
High resolution limit [Å]	1.668	1.668
Rmerge	0.091	1.641
Rmeas	0.094	1.700
Rpim	0.022	0.437
Number of reflections	28487	1424
<I/σ(I)>	21.7	1.9
Completeness [%]	63.8	10.7
Redundancy	18.3	14.4
CC(1/2)	1.000	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.12 M Cesium chloride, 12 %w/v PEG 3350, 12 % v/v DMSO