7E3F

Crystal structure of Trypanosoma brucei cathepsin B Y217C/S275C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	123.650, 123.650, 54.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.751 - 2.350
Rwork	0.219
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hwy
RMSD bond length	0.009
RMSD bond angle	1.683
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.350	2.350
Number of reflections	18117	445
<I/σ(I)>	6.9
Completeness [%]	100.0
Redundancy	243
CC(1/2)	0.979	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		293	In cell crystallization