Mass: 18.015 Da / Num. of mol.: 142 / Source method: isolated from a natural source / Formula: H2O
Sequence details
Sequence has been submitted to GenBank under accession number KP121406. N-terminal 34 residues are ...Sequence has been submitted to GenBank under accession number KP121406. N-terminal 34 residues are expression tags. And residue 189 ALA represent mutation (E189A).
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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: 1.88 Å3/Da / Density % sol: 34.63 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8 / Details: 25% (w/v) PEG 8000, 0.2M (NH4)2SO4
Type: MAR CCD 165 mm / Detector: CCD / Date: Jul 2, 2014
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9791 Å / Relative weight: 1
Reflection
Resolution: 2.3→50.2 Å / Num. obs: 11212 / % possible obs: 98.11 % / Redundancy: 7.8 % / Net I/σ(I): 15.02
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
Coot
modelbuilding
HKL-2000
datacollection
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→28.21 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.912 / SU B: 7.315 / SU ML: 0.173 / Cross valid method: THROUGHOUT / ESU R: 0.586 / ESU R Free: 0.264 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24324
583
5.2 %
RANDOM
Rwork
0.21497
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obs
0.21646
10624
98.08 %
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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: MASK