OxysterolsreceptorLXR-beta / Liver X receptor beta / Nuclear receptor NER / Nuclear receptor subfamily 1 group H member 2 / ...Liver X receptor beta / Nuclear receptor NER / Nuclear receptor subfamily 1 group H member 2 / Ubiquitously-expressed nuclear receptor
Mass: 32457.008 Da / Num. of mol.: 2 / Mutation: G213H, E214M, Q259A, R261G, D262S, R264S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: NR1H2, LXRB, NER, UNR / Plasmid: pET28a(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P55055
#2: Protein
RetinoicacidreceptorRXR-beta / Nuclear receptor subfamily 2 group B member 2 / Retinoid X receptor beta
Mass: 28252.461 Da / Num. of mol.: 2 / Mutation: G293M Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: RXRB, NR2B2 / Plasmid: pET21a(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P28702
Mass: 18.015 Da / Num. of mol.: 14 / Source method: isolated from a natural source / Formula: H2O
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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: 2.05 Å3/Da / Density % sol: 39.86 % / Description: rod shaped 50 to 100um
Crystal grow
Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir ...Details: 1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long. PH range: 7.5 - 8.5
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Data collection
Diffraction
Mean temperature: 100 K / Ambient temp details: CryoJet - Nitrogen gas
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.075 Å / Relative weight: 1
Reflection
Resolution: 2.598→44.48 Å / Num. obs: 29831 / % possible obs: 99.89 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6 % / Biso Wilson estimate: 52.376 Å2 / Net I/σ(I): 15
Reflection shell
Resolution: 2.598→2.67 Å / Redundancy: 4 % / Mean I/σ(I) obs: 1.3 / % possible all: 98.95
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0071
refinement
HKL-2000
datareduction
HKL-2000
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.598→44.48 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.916 / SU B: 11.824 / SU ML: 0.248 / Cross valid method: THROUGHOUT / ESU R Free: 0.331 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24851
1581
5 %
RANDOM
Rwork
0.19679
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obs
0.19942
29831
99.89 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å