9LI0

Crystal structure of engineered ice-binding protein (M74I and A97V) from Candidatus Cryosericum odellii strain SMC5_169

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	31.150, 61.920, 92.540
Unit cell angles	90.00, 94.26, 90.00

Refinement procedure

Resolution	29.352 - 1.453
Rwork	0.153
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.839
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.352	1.505
High resolution limit [Å]	1.453	1.453
Rmerge	0.039	0.160
Rpim	0.016	0.073
Number of reflections	61537	5966
<I/σ(I)>	28.83	8.53
Completeness [%]	99.5	96.95
Redundancy	6.6	5.6
CC(1/2)	0.999	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	90% of precipitant (35% PEG 2000 MME), 10% of mixture(6 M Ammonium nitrate, 0.1M Tris pH 8.5)