5OXS

Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R5 oligosaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 1 21 1
Unit cell lengths	55.679, 108.510, 56.170
Unit cell angles	90.00, 92.89, 90.00

Refinement procedure

Resolution	56.100 - 1.650
R-factor	0.1658
Rwork	0.165
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1PW9
RMSD bond length	0.010
RMSD bond angle	1.324
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.12)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.100	56.100	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.054	0.024	0.397
Rmeas	0.065	0.029	0.480
Rpim	0.036	0.016	0.266
Number of reflections	74199	509	3629
<I/σ(I)>	11.4
Completeness [%]	93.0	99.2	93.2
Redundancy	3.1	3.4	3
CC(1/2)	0.998	0.998	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris pH 8.0, 16% PEG 6000