5QTJ

T. brucei FPPS in complex with CID 47256035

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	2018-06-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 61 2 2
Unit cell lengths	60.539, 60.539, 342.171
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.028 - 2.101
R-factor	0.2422
Rwork	0.240
R-free	0.27790
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]	57.028	2.282
High resolution limit [Å]	2.101	2.101
Rmerge	0.134	1.927
Rmeas	0.128	1.504
Rpim	0.021	0.247
Total number of observations	590391	83677
Number of reflections	17890	2286
<I/σ(I)>	21.7	2.7
Completeness [%]	77.9	18.4
Redundancy	35.2	20.7
CC(1/2)	0.999	0.952

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