4X1X

Crystal structure of RHDVb P domain in complex with Lewis Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.984463
Spacegroup name	P 1 21 1
Unit cell lengths	59.440, 84.150, 62.660
Unit cell angles	90.00, 110.11, 90.00

Refinement procedure

Resolution	48.220 - 1.600
R-factor	0.1561
Rwork	0.154
R-free	0.18450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x1w
RMSD bond length	0.005
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.220		1.590
High resolution limit [Å]	1.550	6.940	1.550
Rmerge	0.061	0.026	0.484
Rmeas	0.085	0.037	0.671
Total number of observations	243456
Number of reflections	153487	1744	10733
<I/σ(I)>	7.46	22.18	1.34
Completeness [%]	92.8	94.1	87.3
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	Lithium chloride, PEG 6000, Citric Acid