2RIE

Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with 2-deoxy-L-glycero-D-manno-heptose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-31
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	55.285, 108.180, 55.543
Unit cell angles	90.00, 90.99, 90.00

Refinement procedure

Resolution	50.000 - 1.600
Rwork	0.199
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.137
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.600	3.950	1.600
Rmerge	0.033	0.027	0.197
Number of reflections	83562
<I/σ(I)>	39.2
Completeness [%]	97.3	95.1	87.8
Redundancy	5.2	6.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	290	12% PEG 8000, 150MM NACL, 10MM CACL2, 100MM HEPES, PH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K