7JJV

Crystal waters on the nine polyproline type II helical bundle springtail antifreeze protein from Granisotoma rainieri match the ice lattice

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	2019-02-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	30.489, 64.214, 86.267
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.171 - 1.210
Rwork	0.149
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pne
RMSD bond length	0.017
RMSD bond angle	2.115
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]	43.171	1.230
High resolution limit [Å]	1.210	1.210
Rmerge	0.064	0.925
Rmeas	0.067	0.963
Rpim	0.019	0.266
Number of reflections	52608	2579
<I/σ(I)>	16.5	2.5
Completeness [%]	99.9	99.7
Redundancy	12.4	12.7
CC(1/2)	0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277.15	0.2 M lithium nitrate, 2.2 M ammonium sulfate