9ZFN

Tulane virus protease without added ligands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-07
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0002
Spacegroup name	P 21 21 21
Unit cell lengths	56.280, 78.160, 86.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.670 - 2.100
R-factor	0.2054
Rwork	0.204
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.715
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.670	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	0.701
Rmeas	0.085	0.734
Number of reflections	19959	1490
<I/σ(I)>	20.5	3.6
Completeness [%]	86.8	99.1
Redundancy	11	11.3
CC(1/2)	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	0.1M amino acids mix, 1.2% cholic acid derivative mix, 0.1M Buffer system 1 pH 6.5, 37.5% Precipitant Mix 4 (Morpheus Fusion E5)