5QTC

Unliganded T. brucei 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	2016-10-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 61 2 2
Unit cell lengths	60.030, 60.030, 340.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.767 - 1.645
R-factor	0.2105
Rwork	0.208
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4ryp
Data reduction software	XDS (20180808)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.767	1.878
High resolution limit [Å]	1.645	1.645
Rmerge	0.092	1.531
Rmeas	0.127	9.678
Rpim	0.029	2.228
Total number of observations	628869	92960
Number of reflections	24792	5046
<I/σ(I)>	20.3	0.5
Completeness [%]	54.1	8.4
Redundancy	18	14.5
CC(1/2)	0.999	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	20 % w/v PEG 3350, 0.2 M sodium tartrate dibasic dihydrate