4CAJ

Crystallographic structure of the mouse SIGN-R1 CRD domain in complex with sialic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	146.200, 94.470, 76.140
Unit cell angles	90.00, 121.42, 90.00

Refinement procedure

Resolution	14.948 - 2.191
R-factor	0.2093
Rwork	0.205
R-free	0.28120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zhg
RMSD bond length	0.018
RMSD bond angle	1.441
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.950	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.110	0.450
Number of reflections	50858
<I/σ(I)>	9.4	3.7
Completeness [%]	100.0	100
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				CRYSTALS GROWN BY MIXING 1 UL OF CRD_SIGN-R1 (4 MG/ML IN 20 MM TRIS/HCL PH 7.5 AND 100 MM NACL) WITH 1UL OF PRECIPITANT CONSISTING IN 0.1 M BISTRISPH 5.5 AND 1.6 M (NH4)2SO4.