Mass: 18.015 Da / Num. of mol.: 93 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE SEQUENCE HAS BEEN DEPOSITED TO GENBANK WITH ACCESSION ID NP_828863, WHICH IS NOT AVAILABLE FROM ...THE SEQUENCE HAS BEEN DEPOSITED TO GENBANK WITH ACCESSION ID NP_828863, WHICH IS NOT AVAILABLE FROM UNIPROT AT PRESENT. RESIDUE 188 IS ARG ACCORDING TO THE DATABASE.
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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: 3.05 Å3/Da / Density % sol: 59.65 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 9-11%(w/v) of PEG20000, 100mM MES, 5mM DTT
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Data collection
Diffraction
Mean temperature: 100 K / Ambient temp details: Nitorogen gas stream
Diffraction source
Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.5418 Å
Detector
Type: RIGAKU RAXIS VII / Detector: IMAGE PLATE / Date: Feb 24, 2014
Radiation
Monochromator: Confocal mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.41→50 Å / Num. obs: 31213 / % possible obs: 92.7 % / Redundancy: 1.75 % / Rmerge(I) obs: 0.046 / Net I/σ(I): 37.9
Reflection shell
Resolution: 2.4→2.44 Å / Redundancy: 1.5 % / Mean I/σ(I) obs: 9.4 / % possible all: 55.6
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Phasing
Phasing
Method: molecular replacement
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Processing
Software
Name
Version
Classification
CrystalClear
datacollection
HKL-2000
datascaling
REFMAC
5.8.0069
refinement
PDB_EXTRACT
3.14
dataextraction
MOLREP
modelbuilding
HKL
datareduction
SCALEPACK
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.42→33.068 Å / Cor.coef. Fo:Fc: 0.908 / Cor.coef. Fo:Fc free: 0.891 / SU B: 0.01 / SU ML: 0 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.245 / ESU R Free: 0.276 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.261
1472
5.1 %
RANDOM
Rwork
0.2317
27471
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obs
0.2332
28943
94.35 %
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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
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