5QTD

Unliganded T. brucei FPPS

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	2018-06-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 61 2 2
Unit cell lengths	60.453, 60.453, 340.066
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.678 - 1.642
R-factor	0.2526
Rwork	0.250
R-free	0.29790
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]	56.678	1.860
High resolution limit [Å]	1.642	1.642
Rmerge	0.130	2.590
Rmeas	0.100	0.900
Rpim	0.017	0.143
Total number of observations	715057	89508
Number of reflections	27755	2344
<I/σ(I)>	24	5.5
Completeness [%]	59.6	9.8
Redundancy	36.1	34.8
CC(1/2)	1.000	0.979

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