5QTA

T. brucei FPPS in complex with CID 2804072

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	2017-07-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000000
Spacegroup name	P 61 2 2
Unit cell lengths	60.744, 60.744, 341.292
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.882 - 2.113
R-factor	0.2537
Rwork	0.252
R-free	0.29430
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]	56.882	2.368
High resolution limit [Å]	2.113	2.113
Rmerge	0.111	1.291
Rmeas	0.132	2.848
Rpim	0.032	0.810
Total number of observations	305761	29797
Number of reflections	14308	2496
<I/σ(I)>	18.4	0.8
Completeness [%]	63.0	11.2
Redundancy	17.7	9.7
CC(1/2)	1.000	0.775

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