6JK4

Ca2+-dependent type II antifreeze protein

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	65.952, 65.952, 49.794
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.040 - 1.060
R-factor	0.15502
Rwork	0.154
R-free	0.17418
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zib
RMSD bond length	0.017
RMSD bond angle	1.931
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]	21.567	1.120
High resolution limit [Å]	1.060	1.060
Rmerge	0.045	0.229
Rmeas	0.048	0.241
Number of reflections	56672	8207
<I/σ(I)>	10.1	3.4
Completeness [%]	99.7	100
Redundancy	10.5	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.1 M sodium acetate, 0.25 M ammonium sulfate, 8% PEG 3350 The Crystal was soaked in crystallizaion solution containing 2mM CaCl2 and pH adjusted to 7.0 before data collection.