5QT8

T. brucei FPPS in complex with CAS 34105-16-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999970
Spacegroup name	P 61 2 2
Unit cell lengths	61.016, 61.016, 343.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.242 - 2.350
R-factor	0.2363
Rwork	0.234
R-free	0.27240
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]	57.242	2.636
High resolution limit [Å]	2.350	2.350
Rmerge	0.151	1.910
Rmeas	0.229	8.696
Rpim	0.054	2.066
Total number of observations	290217	39455
Number of reflections	10512	2260
<I/σ(I)>	16.2	0.3
Completeness [%]	62.1	11.1
Redundancy	18	17.8
CC(1/2)	0.999	0.496

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