5IRB

Structural insight into host cell surface retention of a 1.5-MDa bacterial ice-binding adhesin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	93
Detector technology	CCD
Collection date	2013-11-14
Detector	ADSC QUANTUM 270
Wavelength(s)	1.078
Spacegroup name	C 2 2 21
Unit cell lengths	85.601, 247.023, 84.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.789 - 2.000
R-factor	0.2111
Rwork	0.209
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.250
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.510	2.030
High resolution limit [Å]	1.800	2.000
Rmerge	0.081
Number of reflections	60756
<I/σ(I)>	14.5
Completeness [%]	99.5	99.8
Redundancy	8.2
CC(1/2)	0.996	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	298	PEG3350, calcium chloride