7CB4

Crystal structures of of BlAsnase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	92.080, 92.080, 230.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.517 - 2.040
Rwork	0.182
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c91
RMSD bond length	0.015
RMSD bond angle	1.692
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]	85.520	2.090
High resolution limit [Å]	2.037	2.040
Rpim	0.021	0.188
Number of reflections	64416	4657
<I/σ(I)>	20.6	3.5
Completeness [%]	99.9
Redundancy	25.7
CC(1/2)	0.999	0.870

Crystallization Conditions

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