SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Mass: 18.015 Da / Num. of mol.: 246 / Source method: isolated from a natural source / Formula: H2O
Sequence details
MODELLED AS GLY, PROVEN BY DNA SEQUENCING AND MASS SPECTROSCOPY TO BE SER UNIPROT REFERENCE Q8NHR6_ ...MODELLED AS GLY, PROVEN BY DNA SEQUENCING AND MASS SPECTROSCOPY TO BE SER UNIPROT REFERENCE Q8NHR6_HUMAN REPRESENTS A SPLICE VARIANT OF THE FULL LENGTH CLEC-2 PROTEIN IN WHICH THE TRANSMEMBRANE DOMAIN IS ABSENT. A SINGLE NUCLEOTIDE POLYMORPHISM RS612593 IS PRESENT AT RESIDUE 115
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 1.81 Å3/Da / Density % sol: 31.99 % Description: A COMPOSITE MODEL WAS CONSTRUCTED USING THE CASPR WEBSERVER FROM THE FOLLOWING PDB ENTRIES 1MPU, 1K9I, 1P4L, 1QO3, 1XPH AND 1YPQ.
Monochromator: ASYMMETRIC CUT SI (111) CRYTALS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.488 Å / Relative weight: 1
Reflection
Resolution: 1.44→50 Å / Num. obs: 20396 / % possible obs: 88 % / Observed criterion σ(I): -3 / Redundancy: 11.4 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 49.02
Reflection shell
Resolution: 1.44→1.49 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.11 / Mean I/σ(I) obs: 10.13 / % possible all: 24.4
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
HKL-2000
datareduction
HKL-2000
datascaling
CaspR
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: COMPOSITE MODEL - SEE REMARKS Resolution: 1.6→39.31 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.945 / SU B: 1.593 / SU ML: 0.058 / Cross valid method: THROUGHOUT / ESU R: 0.1 / ESU R Free: 0.099 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.198
762
5.1 %
RANDOM
Rwork
0.159
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obs
0.161
14114
99.8 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK