4M18

Crystal Structure of Surfactant Protein-D D325A/R343V mutant in complex with trimannose (Man-a1,2Man-a1,2Man)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-10-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	107.833, 159.454, 159.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.024 - 3.203
R-factor	0.1884
Rwork	0.187
R-free	0.22220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4m17
RMSD bond length	0.014
RMSD bond angle	0.753
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.024	15.024	3.310
High resolution limit [Å]	3.200	6.700	3.200
Rmerge	0.169	0.060	0.431
Number of reflections	45301
<I/σ(I)>	5.4
Completeness [%]	99.6	100	98.1
Redundancy	4.2	4.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Purified D325A+R343V (12-15 mg/mL in 20 mM HEPES, pH 7.5, 150 mM sodium chloride, 10 mM calcium acetate) + reservoir solution (0.1 M HEPES, pH 7.5, 0.25 M sodium chloride, 20-22% w/v PEG3350), VAPOR DIFFUSION, HANGING DROP, temperature 290K