Mass: 29955.529 Da / Num. of mol.: 1 / Fragment: unp residues 83-343 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: TRIB1, C8FW, GIG2, TRB1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q96RU8
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION
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Sample preparation
Crystal
Density Matthews: 3.53 Å3/Da / Density % sol: 65.13 %
Crystal grow
Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 0.1 M Bis-Tris, 2-3 M NaCl, 0.1 M Sodium Citrate and 0.01 M reduced L-Glutathione, 0.01 M oxidized L-Glutathione
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.954 Å
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.954 Å / Relative weight: 1
Reflection
Resolution: 2.8→48.5 Å / Num. obs: 11093 / % possible obs: 100 % / Redundancy: 9.6 % / Rmerge(I) obs: 0.097 / Net I/σ(I): 18.6
Reflection shell
Resolution: 2.8→2.95 Å / Redundancy: 9.9 % / Mean I/σ(I) obs: 2 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0107
refinement
XDS
datareduction
SCALA
datascaling
SHELXDE
phasing
Refinement
Resolution: 2.8→48.5 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.938 / SU B: 39.215 / SU ML: 0.299 / Cross valid method: THROUGHOUT / ESU R: 0.489 / ESU R Free: 0.3 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24554
590
5.3 %
RANDOM
Rwork
0.20736
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obs
0.20937
10489
99.89 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.1 Å / Solvent model: MASK