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.: 54 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE CRYSTALLIZED SEQUENCE CORRESPONDS TO RESIDUES 1-82 OF HUMAN EDC3 PLUS TWO N-TERMINAL RESIDUES ...THE CRYSTALLIZED SEQUENCE CORRESPONDS TO RESIDUES 1-82 OF HUMAN EDC3 PLUS TWO N-TERMINAL RESIDUES (GA) REMAINING FROM THE PURIFICATION TAG
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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: 1.77 Å3/Da / Density % sol: 30.6 % / Description: NONE
Crystal grow
pH: 4.1 Details: 40 MM NA-PROPIONATE, 20 MM NA-CACODYLATE, 40 MM BIS-TRIS-PROPANE, PH=4.1, 32% PEG1500
Monochromator: SI111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.05 Å / Relative weight: 1
Reflection
Resolution: 1.31→18.7 Å / Num. obs: 15783 / % possible obs: 98.6 % / Redundancy: 12.9 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 15.5
Reflection shell
Resolution: 1.31→1.33 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.28 / Mean I/σ(I) obs: 4.7 / % possible all: 99.8
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
DENZO
datareduction
SCALEPACK
datascaling
autoSHARP
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 1.31→18.65 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.954 / SU B: 2.467 / SU ML: 0.049 / Cross valid method: THROUGHOUT / ESU R: 0.071 / ESU R Free: 0.066 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.231
758
4.9 %
RANDOM
Rwork
0.196
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obs
0.198
14787
97.3 %
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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: BABINET MODEL WITH MASK