5XQU

Crystal structure of Notched-fin eelpout type III antifreeze protein A20I mutant (NFE6, AFP), P212121 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-07
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	22.892, 45.384, 57.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.720 - 1.000
R-factor	0.121
Rwork	0.120
R-free	0.13300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xqn
RMSD bond length	0.010
RMSD bond angle	1.539
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.040
High resolution limit [Å]	1.000	1.000
Rmerge	0.074	0.268
Number of reflections	33453
<I/σ(I)>	54.3	8.6
Completeness [%]	99.9	99.5
Redundancy	8.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	26% MPD, 15% PEG8K, 0.1 M NaAcetate pH5.5, 0.1M CaCl2