Mass: 52683.629 Da / Num. of mol.: 1 / Fragment: PROXIMAL LEG Source method: isolated from a genetically manipulated source Details: THE N-TERMINAL POLY-HIS TAG (MHHHHHH) WAS NOT SEEN IN THE ELECTRON DENSITY Source: (gene. exp.) Bos taurus (cattle) / Plasmid: PET11B / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21/DE3 Keywords: N-TERM POLY-HIS TAG (MHHHHHH) NOT SEEN IN THE ELECTRON DENSITY References: UniProt: P49951
Nonpolymer details
SELENOMETHIONINE SUBSTITUTED AT MET RESIDUES
Sequence details
MODRES: SELENOMETHIONINE REPLACEMENT OF METHIONINE
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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: 4.16 Å3/Da / Density % sol: 52 %
Crystal grow
pH: 8 Details: 250 MM SODIUM FORMATE, 100 MM TRIS-HCL, PH 8, pH 8.0
Resolution: 2.5→30 Å / Num. obs: 26124 / % possible obs: 71.5 % / Redundancy: 7 % / Biso Wilson estimate: 42.6 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 21
Reflection shell
Resolution: 2.5→2.625 Å / Redundancy: 3 % / Rmerge(I) obs: 0.137 / Mean I/σ(I) obs: 4 / % possible all: 39.5
Reflection shell
*PLUS
% possible obs: 39.5 %
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Processing
Software
Name
Version
Classification
SOLVE
phasing
CNS
0.4
refinement
DENZO
datareduction
SCALEPACK
datascaling
Refinement
Method to determine structure: MAD / Resolution: 2.6→30 Å / Rfactor Rfree error: 0.004 / Data cutoff high rms absF: 4552450.46 / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 2 / Details: BULK SOLVENT MODEL USED
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