9RAM

E-selectin complexed with glycomimetic ligand MZ2257

This is a non-PDB format compatible entry.

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	2014-03-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	91.960, 72.300, 52.350
Unit cell angles	90.00, 94.51, 90.00

Refinement procedure

Resolution	45.840 - 2.600
R-factor	0.2239
Rwork	0.224
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.840	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.099	2.020
Rpim	0.052	1.110
Number of reflections	10469	1015
<I/σ(I)>	10.1	0.76
Completeness [%]	98.2	96.2
Redundancy	4.5	4.2
CC(1/2)	0.998	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M CaCl2, 0.1 M Mops pH 6.2, 11-14% PEG8000, after microseeding