4KKJ

Crystal Structure of Haptocorrin in Complex with Cbi

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	2011-05-06
Detector	PSI PILATUS 6M
Spacegroup name	P 64
Unit cell lengths	150.378, 150.378, 60.275
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.200 - 3.000
R-factor	0.206
Rwork	0.204
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kki
RMSD bond length	0.003
RMSD bond angle	0.730
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]	49.200	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.058	1.762
Number of reflections	15823
<I/σ(I)>	28.5	1.44
Completeness [%]	100.0	100
Redundancy	10.25	10.8

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