5QTI

T. brucei FPPS in complex with CID 62483448

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 61 2 2
Unit cell lengths	60.529, 60.529, 340.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.809 - 2.112
R-factor	0.243
Rwork	0.241
R-free	0.27870
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]	56.743	2.315
High resolution limit [Å]	2.112	2.112
Rmerge	0.198	2.231
Rmeas	0.187	1.953
Rpim	0.030	0.302
Total number of observations	545040	83187
Number of reflections	16042	2024
<I/σ(I)>	15.6	2.5
Completeness [%]	70.2	14.4
Redundancy	37.3	26.2
CC(1/2)	0.999	0.930

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