Mass: 18.015 Da / Num. of mol.: 451 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE SEQUENCE OF THIS PROTEIN WAS NOT AVAILABLE AT THE UNIPROT KNOWLEDGEBASE DATABASE (UNIPROTKB) AT ...THE SEQUENCE OF THIS PROTEIN WAS NOT AVAILABLE AT THE UNIPROT KNOWLEDGEBASE DATABASE (UNIPROTKB) AT THE TIME OF DEPOSITION. AUTHORS STATE THAT THE GENEBANK ACCESSION NUMBER IS KM406409 FOR THE SEQUENCE.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 2
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Sample preparation
Crystal
Density Matthews: 1.98 Å3/Da / Density % sol: 37.76 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2M Sodium chloride, 0.1M BIS-TRIS, 25% PEG3,350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
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Data collection
Diffraction
ID
Mean temperature (K)
Crystal-ID
1
100
1
2
100
1
Diffraction source
Source
Site
Beamline
ID
Wavelength (Å)
SYNCHROTRON
SPring-8
BL44XU
1
0.9
SYNCHROTRON
SPring-8
BL44XU
2
0.978769, 0.979101, 0.994813
Detector
Type
ID
Detector
Date
RAYONIX MX225HE
1
CCD
May 19, 2014
RAYONIX MX225HE
2
CCD
Jul 18, 2014
Radiation
ID
Monochromator
Protocol
Monochromatic (M) / Laue (L)
Scattering type
Wavelength-ID
1
Rotated-inclined double crystal
SINGLEWAVELENGTH
M
x-ray
1
2
Rotated-inclined double crystal
MAD
M
x-ray
1
Radiation wavelength
ID
Wavelength (Å)
Relative weight
1
0.9
1
2
0.978769
1
3
0.979101
1
4
0.994813
1
Reflection
Resolution: 1.53→78.14 Å / Num. obs: 60179 / % possible obs: 98.5 % / Observed criterion σ(I): 5 / Redundancy: 6.5 % / Rmerge(I) obs: 0.181 / Net I/σ(I): 14.5
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Processing
Software
Name
Version
Classification
HKL-2000
datacollection
SHELX
modelbuilding
REFMAC
5.5.0109
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SHELX
phasing
Refinement
Method to determine structure: MAD / Resolution: 1.53→50 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.942 / SU B: 1.281 / SU ML: 0.048 / Cross valid method: THROUGHOUT / ESU R: 0.085 / ESU R Free: 0.087 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22481
3030
5.1 %
RANDOM
Rwork
0.19069
-
-
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obs
0.1924
56727
97.99 %
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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