6JK5

Ca2+-dependent type II antifreeze protein (Ca2+-free 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	2005-05-29
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	66.029, 66.029, 50.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.390 - 1.250
R-factor	0.18127
Rwork	0.180
R-free	0.21181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zib
RMSD bond length	0.016
RMSD bond angle	1.853
Data reduction software	HKL-2000 (1.97.8)
Data scaling software	HKL-2000 (1.97.8)
Phasing software	MOLREP (7.3.03)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.400	1.320
High resolution limit [Å]	1.250	1.250
Rmerge	0.052	0.234
Rmeas	0.055	0.246
Number of reflections	34554	5130
<I/σ(I)>	8.5	3.2
Completeness [%]	98.3	98.3
Redundancy	10.1	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.1M sodium acetate, 0.25M ammonium sulfate, 8% PEG 3350 The crystal was soaked in crystallizaion solution pH adjusted to 3.0 before data collection.