5QT9

T. brucei FPPS in complex with CID 23155989

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	2017-03-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999970
Spacegroup name	P 61 2 2
Unit cell lengths	60.929, 60.929, 343.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.766 - 2.199
R-factor	0.2318
Rwork	0.230
R-free	0.27420
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]	52.766	2.475
High resolution limit [Å]	2.199	2.199
Rmerge	0.125	1.543
Rmeas	0.172	7.189
Rpim	0.040	1.598
Total number of observations	299421	46150
Number of reflections	12144	2347
<I/σ(I)>	16.3	0.6
Completeness [%]	59.4	10.3
Redundancy	17.9	16
CC(1/2)	0.999	0.553

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 xylitol