7QZK

Crystal structure of mouse CNPase catalytic domain, V318I mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.968
Spacegroup name	P 1 21 1
Unit cell lengths	39.530, 47.830, 51.180
Unit cell angles	90.00, 97.21, 90.00

Refinement procedure

Resolution	39.220 - 1.660
R-factor	0.1787
Rwork	0.174
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xmi
RMSD bond length	0.010
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.700
High resolution limit [Å]	1.660	1.660
Rmeas	0.192	2.164
Number of reflections	22318	1662
<I/σ(I)>	6.7	0.7
Completeness [%]	98.9	99.8
Redundancy	6.8	7
CC(1/2)	0.995	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	23% PEG3350 and 50 mM tri-sodium citrate (pH 3.5)