5IUC

Crystal structure of the GspB siglec domain with sialyl T antigen bound

Replaces:  4I8EReplaces:  3QD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	67.670, 66.547, 55.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.859 - 1.253
R-factor	0.1567
Rwork	0.156
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qc5
RMSD bond length	0.013
RMSD bond angle	1.507
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.066	0.048	0.406
Rmeas	0.068
Rpim	0.018
Total number of observations	997601
Number of reflections	67016
<I/σ(I)>	13
Completeness [%]	95.8	98.6	91.4
Redundancy	14.9	14.2	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	295	PEG 3350, NaCl, Bis-Tris