7CBW

Blasnase-T13A with D-asn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	91.940, 91.940, 231.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.029 - 1.978
Rwork	0.167
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c91
RMSD bond length	0.015
RMSD bond angle	1.699
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.029	2.020
High resolution limit [Å]	1.800	1.800
Rpim	0.021	0.235
Number of reflections	93591	3638
<I/σ(I)>	20.5	2.3
Completeness [%]	98.9	82.6
Redundancy	23.6	9.4
CC(1/2)	0.999	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	formate