7E3E

Crystal structure of Trypanosoma brucei cathepsin B R91C/T223C 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	125.100, 125.100, 55.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.764 - 2.300
Rwork	0.221
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hwy
RMSD bond length	0.008
RMSD bond angle	1.685
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	2.320
High resolution limit [Å]	2.300	2.300
Number of reflections	20010	496
<I/σ(I)>	7.7
Completeness [%]	100.0
Redundancy	558
CC(1/2)	0.990	0.374

Crystallization Conditions

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