5QTE

T. brucei FPPS in complex with CID 4563894

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	2018-07-20
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.967700
Spacegroup name	P 61 2 2
Unit cell lengths	60.583, 60.583, 341.208
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.868 - 2.072
R-factor	0.2548
Rwork	0.253
R-free	0.28260
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]	56.868	2.257
High resolution limit [Å]	2.072	2.072
Rmerge	0.343	2.733
Rmeas	0.322	2.549
Rpim	0.052	0.397
Total number of observations	586997	87927
Number of reflections	17265	2175
<I/σ(I)>	14.6	2.4
Completeness [%]	72.3	16.6
Redundancy	36.5	23.4
CC(1/2)	0.998	0.872

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