7PK4

Tick salivary cystatin Ricistatin in complex with cathepsin V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-02
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.541870
Spacegroup name	C 1 2 1
Unit cell lengths	117.488, 45.322, 58.520
Unit cell angles	90.00, 96.89, 90.00

Refinement procedure

Resolution	43.870 - 1.920
R-factor	0.1878
Rwork	0.186
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kfq
RMSD bond length	0.009
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.910	43.870	1.970
High resolution limit [Å]	1.920	9.010	1.920
Rmerge	0.132	0.043	1.070
Rmeas	0.160	0.052	1.362
Rpim	0.090	0.030	0.828
Total number of observations		775	3372
Number of reflections	23406	245	1504
<I/σ(I)>	6.5	22.1	0.8
Completeness [%]	99.2	98.8	94
Redundancy	3.1	3.2	2.2
CC(1/2)	0.991	0.985	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291.15	0.07 M Ammonium acetate 4.5 18.9% w/v PEG 10,000