6NEZ

Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	58.994, 151.493, 156.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.940 - 2.200
R-factor	0.2058
Rwork	0.204
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k29
RMSD bond length	0.007
RMSD bond angle	1.492
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.099	0.043	0.981
Rmeas	0.106	0.047	1.048
Rpim	0.037	0.017	0.359
Total number of observations	286191
Number of reflections	35904	1937	1743
<I/σ(I)>	6.3
Completeness [%]	99.6	99	99.8
Redundancy	8	7.6	7.7
CC(1/2)		0.997	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	2.27 M Na Formate, and 0.1M Na Acetate pH4.5