8H4F

Blasnase-T13A/P55F 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	PIXEL
Collection date	2021-10-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	92.443, 92.443, 231.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.820 - 1.900
Rwork	0.191
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c8x
RMSD bond length	0.011
RMSD bond angle	1.079
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	1.880
High resolution limit [Å]	1.850	1.850
Rpim	0.020	0.680
Number of reflections	86412	4499
<I/σ(I)>	23.6
Completeness [%]	99.9
Redundancy	20
CC(1/2)	1.000	0.538

Crystallization Conditions

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