4NUH

Crystal structure of mLeIBP, a capping head region swapped mutant of ice-binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	29.358, 31.222, 47.051
Unit cell angles	76.32, 72.59, 76.62

Refinement procedure

Resolution	44.160 - 1.340
R-factor	0.16516
Rwork	0.163
R-free	0.20105
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nu2
RMSD bond length	0.025
RMSD bond angle	2.312
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.160	1.360
High resolution limit [Å]	1.340	1.340
Number of reflections	29246
Completeness [%]	90.3	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	293	0.1M Tris-HCl, pH 8.9, 0.2M magnesium chloride, 34%(w/v) PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K