7WZ5

Larimichthys crocea IFNi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-19
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.979176
Spacegroup name	P 21 21 21
Unit cell lengths	36.310, 60.620, 81.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.150 - 1.390
R-factor	0.1993
Rwork	0.199
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3piw
RMSD bond length	0.006
RMSD bond angle	0.829
Data reduction software	xia2 (1.0)
Data scaling software	xia2 (1.0)
Phasing software	PARROT (1.0)
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.430
High resolution limit [Å]	1.390	1.390
Number of reflections	36077	36077
<I/σ(I)>	30.97
Completeness [%]	97.8
Redundancy	5
CC(1/2)	0.997	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289.15	Calcium chloride dihydrate, BIS-TRIS, Polyethylene glycol monomethyl ether 550