5OXR

Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R7 oligosaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	55.329, 108.140, 55.670
Unit cell angles	90.00, 91.82, 90.00

Refinement procedure

Resolution	55.300 - 1.750
R-factor	0.1743
Rwork	0.173
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1PW9
RMSD bond length	0.010
RMSD bond angle	1.402
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.28)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.300	55.300	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.066	0.038	0.359
Rmeas	0.083	0.048	0.459
Rpim	0.050	0.028	0.281
Number of reflections	61250	468	3299
<I/σ(I)>	7.3
Completeness [%]	93.2	96.5	91.2
Redundancy	2.3	2.4	2.3
CC(1/2)	0.991	0.959	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Tris pH 7.0, 16% PEG 10000