5QT4

T. brucei FPPS in complex with CID 3599333

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	2017-07-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000000
Spacegroup name	P 61 2 2
Unit cell lengths	61.077, 61.077, 344.223
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.894 - 2.324
R-factor	0.283
Rwork	0.281
R-free	0.32460
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]	52.894	2.595
High resolution limit [Å]	2.324	2.324
Rmerge	0.073	1.862
Rmeas	0.120	16.004
Rpim	0.028	3.575
Total number of observations	255141	42821
Number of reflections	9284	2192
<I/σ(I)>	26.4	0.3
Completeness [%]	52.8	9.7
Redundancy	17	16.4
CC(1/2)	0.999	0.375

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