8H4E

Blasnase-T13A/P55N with D-asn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	173
Detector technology	CCD
Collection date	2021-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	92.420, 92.420, 232.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.060
Rwork	0.196
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c8x
RMSD bond length	0.010
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (v1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.970	2.110
High resolution limit [Å]	2.060	2.060
Rpim	0.025	0.361
Number of reflections	63183	4373
<I/σ(I)>	18.3
Completeness [%]	99.9
Redundancy	26
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	sodium formate