5QTF

T. brucei FPPS in complex with CID 144539

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 61 2 2
Unit cell lengths	60.623, 60.623, 341.323
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.887 - 1.783
R-factor	0.2525
Rwork	0.250
R-free	0.29310
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]	56.887	2.010
High resolution limit [Å]	1.783	1.783
Rmerge	0.125	2.569
Rmeas	0.120	2.029
Rpim	0.020	0.325
Total number of observations	811733	121699
Number of reflections	24054	3167
<I/σ(I)>	20.3	2.3
Completeness [%]	65.0	11.1
Redundancy	36.5	37.3
CC(1/2)	0.999	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.12 M CsCl 12 % w/v PEG 3350, 12 % v/v DMSO