9QW4

Crystal structure of human lung surfactant protein D trimeric fragment with bound synthetic PhosII-HepII-HepI ligand

This is a non-PDB format compatible entry.

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	2018-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	55.130, 106.250, 55.340
Unit cell angles	90.00, 91.13, 90.00

Refinement procedure

Resolution	49.122 - 1.850
Rwork	0.178
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.640
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.130	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.061	0.333
Number of reflections	53663	3311
<I/σ(I)>	9.2	3
Completeness [%]	98.8	98.9
Redundancy	2.5
CC(1/2)	0.990	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	16% PEG 4000 and 0.1 M Tris pH 8.0