5QT7

T. brucei FPPS in complex with CID 66669982

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	2018-02-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999930
Spacegroup name	P 61 2 2
Unit cell lengths	61.063, 61.063, 344.166
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.025 - 2.292
R-factor	0.2345
Rwork	0.232
R-free	0.28410
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]	52.882	2.502
High resolution limit [Å]	2.292	2.292
Rmerge	0.133	2.177
Rmeas	0.165	4.158
Rpim	0.039	0.933
Total number of observations	283467	45553
Number of reflections	12949	2337
<I/σ(I)>	15.8	0.9
Completeness [%]	70.8	15.9
Redundancy	17.8	17.6
CC(1/2)	0.999	0.676

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