4KKI

Crystal Structure of Haptocorrin in Complex with CNCbl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-03-25
Detector	PSI PILATUS 6M
Spacegroup name	P 64
Unit cell lengths	149.890, 149.890, 57.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.000 - 2.350
R-factor	0.197
Rwork	0.196
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 2PMV 2bb6
RMSD bond length	0.002
RMSD bond angle	0.683
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.400
High resolution limit [Å]	2.350	2.350
Rmerge	0.096	1.485
Number of reflections	31018
<I/σ(I)>		1.89
Completeness [%]	100.0	100
Redundancy	10.2	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	277	50% PEG 400, 0.2M magnesium chloride, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K