5QTB

T. brucei FPPS in complex with CID 303798

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	60.961, 60.961, 340.711
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.794 - 1.965
R-factor	0.231
Rwork	0.229
R-free	0.27180
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]	52.794	2.112
High resolution limit [Å]	1.965	1.965
Rmerge	0.139	2.454
Rmeas	0.189	5.711
Rpim	0.044	1.279
Total number of observations	436762	71436
Number of reflections	17981	3623
<I/σ(I)>	17.8	0.7
Completeness [%]	63.9	17
Redundancy	18.2	18.9
CC(1/2)	0.999	0.480

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