Mass: 18.015 Da / Num. of mol.: 823 / Source method: isolated from a natural source / Formula: H2O
Sequence details
CRYSTALLINE FORM WITHOUT PUTATIVE TRANSMEMBRANE SEGMENT (92 AMINO ACIDS)
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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: 2.27 Å3/Da / Density % sol: 46 % / Description: NONE
Crystal grow
Method: vapor diffusion, hanging drop / pH: 7.5 Details: HANGING DROP. PROTEIN 7 MG/ML. RESERVOIR 500 UL HEPES 0.1M PH 7.5, AMMONIUM ACETATE 0.2M, PEG-3350 25% AND NAN3 0.02% (W/V). DROP 1 UL PROTEIN AND 1 UL RESERVOIR
Monochromator: FIXED EXIT DOUBLE CRYSTAL SI 111, HORIZONTALLY FOCUSSING Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.22 Å / Relative weight: 1
Reflection
Resolution: 1.9→24 Å / Num. obs: 91292 / % possible obs: 96.7 % / Observed criterion σ(I): 0 / Redundancy: 3.34 % / Biso Wilson estimate: 30.3 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 17
Reflection shell
Resolution: 1.9→1.95 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.52 / Mean I/σ(I) obs: 2.6 / % possible all: 88.2
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
XDS
datareduction
XSCALE
datascaling
Refinement
Method to determine structure: OTHER Starting model: NONE Resolution: 1.9→24 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.917 / SU B: 7.946 / SU ML: 0.118 / Cross valid method: THROUGHOUT / ESU R: 0.156 / ESU R Free: 0.156 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.245
4607
5 %
RANDOM
Rwork
0.187
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obs
0.19
86685
96.7 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK