5C7R

Revealing surface waters on an antifreeze protein by fusion protein crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	48.050, 110.800, 96.570
Unit cell angles	90.00, 94.16, 90.00

Refinement procedure

Resolution	48.158 - 1.940
R-factor	0.178
Rwork	0.176
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hg7 3g7w
RMSD bond length	0.012
RMSD bond angle	1.320
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.000
High resolution limit [Å]	1.940	1.940
Rmerge	0.133	1.362
Number of reflections	72126
<I/σ(I)>	9.36	1.1
Completeness [%]	96.7	86.2
Redundancy	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	1.75 M (NH4)2SO4, 100 mM NaOAC (pH 4.4)