6XNR

Crystal structure of Rhagium Mordax antifreeze protein

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 2 21
Unit cell lengths	66.457, 91.143, 117.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.413 - 2.050
Rwork	0.213
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dt5
RMSD bond length	0.009
RMSD bond angle	1.471
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]	50.000	2.110
High resolution limit [Å]	2.050	2.050
Rpim	0.068	0.519
Number of reflections	45419	3463
<I/σ(I)>	9	2
Completeness [%]	99.7	99.4
Redundancy	13.3	13.7
CC(1/2)	0.998	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	295	PEG monomethyl ether 5000, sodium acetate, magnesium chloride