6W78

crystal structure of a plant ice-binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-31
Detector	MAR CCD 165 mm
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	38.895, 57.453, 135.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.414 - 2.311
Rwork	0.162
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ogq
RMSD bond length	0.014
RMSD bond angle	2.047
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.127	0.491
Number of reflections	13160	690
<I/σ(I)>	18
Completeness [%]	99.8
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	0.2 M sodium malonate (pH 4.0), and 20% w/v polyethylene glycol 3,350