Mass: 18.015 Da / Num. of mol.: 9 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE FIRST SEVEN RESIDUES (GIDPFTV) ARE AN ARTIFACT OF CLONING AND REPLACE THE FIRST METHIONINE OF ...THE FIRST SEVEN RESIDUES (GIDPFTV) ARE AN ARTIFACT OF CLONING AND REPLACE THE FIRST METHIONINE OF THE NATURAL PROTEIN.
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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: 2.88 Å3/Da / Density % sol: 57 % / Description: NONE
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.979 Å / Relative weight: 1
Reflection
Resolution: 2.8→78.33 Å / Num. obs: 34686 / % possible obs: 99.9 % / Observed criterion σ(I): 2 / Redundancy: 10.4 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 23.3
Reflection shell
Resolution: 2.8→2.87 Å / Redundancy: 10.2 % / Rmerge(I) obs: 0.71 / Mean I/σ(I) obs: 3.7 / % possible all: 99.1
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
xia2
datareduction
xia2
datascaling
PHENIX
AUTOSOLVE
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.8→78.33 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.924 / SU B: 28.297 / SU ML: 0.255 / Cross valid method: THROUGHOUT / ESU R: 4.31 / ESU R Free: 0.335 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED REFINEMENT WAS PERFORMED USING THE COMMAND NCSR LOCAL.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23557
1750
5 %
RANDOM
Rwork
0.20457
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obs
0.20616
32914
99.78 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK