7DC5

Crystal structure of fungal antifreeze protein with intermediate activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-03-17
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	57.122, 62.991, 101.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.800 - 1.540
R-factor	0.1963
Rwork	0.195
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b5h
RMSD bond length	0.013
RMSD bond angle	1.709
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.800	49.800	1.570
High resolution limit [Å]	1.540	8.430	1.540
Rmerge	0.131	0.059	1.167
Rmeas	0.136	0.062	1.215
Rpim	0.038	0.020	0.336
Number of reflections	54671	380	2620
<I/σ(I)>	12.3
Completeness [%]	99.8	94.3	99.1
Redundancy	12.6	9.7	13.1
CC(1/2)	0.998	0.997	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES pH6.5, 30% (w/v) PEG MME 5000, 0.2M ammonium sulfate