8GQQ

The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	59.273, 63.274, 24.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.911 - 1.069
R-factor	0.1793
Rwork	0.179
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kfq
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.911	1.107
High resolution limit [Å]	1.069	1.069
Rmerge	0.128	0.390
Number of reflections	42018	4113
<I/σ(I)>	10.8
Completeness [%]	99.0
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	22% (w/v) PEG 2K, 100 mM MES pH 6.5, 60 mM sodium acetate, 10 mM TCEP