5QTK

T. brucei FPPS in complex with CID 69539

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976251
Spacegroup name	P 61 2 2
Unit cell lengths	60.526, 60.526, 340.841
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.807 - 1.857
R-factor	0.2532
Rwork	0.251
R-free	0.29000
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]	56.807	2.057
High resolution limit [Å]	1.857	1.857
Rmerge	0.296	3.265
Rmeas	0.277	2.890
Rpim	0.047	0.473
Total number of observations	725619	104606
Number of reflections	22050	2852
<I/σ(I)>	14.3	2.3
Completeness [%]	67.4	13.1
Redundancy	35.2	30.9
CC(1/2)	0.995	0.929

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