5QT6

T. brucei FPPS in complex with CID 112445

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	2017-05-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999790
Spacegroup name	P 61 2 2
Unit cell lengths	60.684, 60.684, 341.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.554 - 2.189
R-factor	0.2504
Rwork	0.249
R-free	0.28010
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]	52.554	2.429
High resolution limit [Å]	2.189	2.189
Rmerge	0.477	2.049
Rmeas	1.013	26.373
Rpim	0.233	5.932
Total number of observations	280753	42463
Number of reflections	12355	2206
<I/σ(I)>	11	0.9
Completeness [%]	60.3	11.7
Redundancy	17.6	18
CC(1/2)	0.998	0.443

Crystallization Conditions

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