5QTH

T. brucei FPPS in complex with CID 2799882

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 61 2 2
Unit cell lengths	60.556, 60.556, 339.825
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.638 - 1.887
R-factor	0.2432
Rwork	0.241
R-free	0.28300
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]	56.638	2.075
High resolution limit [Å]	1.887	1.887
Rmerge	0.267	3.548
Rmeas	0.217	2.019
Rpim	0.036	0.318
Total number of observations	651223	100256
Number of reflections	21588	2515
<I/σ(I)>	15.7	2.7
Completeness [%]	69.3	14.4
Redundancy	36.6	37.1
CC(1/2)	0.997	0.925

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