Mass: 18.015 Da / Num. of mol.: 59 / 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: 2.23 Å3/Da / Density % sol: 44.73 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion / pH: 8.9 Details: Crystals of human C-His tagged 448-759 PDE10a were grown in 0.1 M Tris-HCl pH 8.9 with ~14% w/v PEG 3350 and 5 mM CaCl2
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.54 Å
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54 Å / Relative weight: 1
Reflection
Resolution: 2.7→40 Å / Num. obs: 18304 / % possible obs: 99.5 % / Redundancy: 3.1 % / Net I/σ(I): 9.4
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
MOSFLM
datareduction
SCALA
datascaling
Refinement
Resolution: 2.7→40 Å / Cor.coef. Fo:Fc: 0.904 / Cor.coef. Fo:Fc free: 0.817 / SU B: 19.729 / SU ML: 0.402 / Cross valid method: THROUGHOUT / ESU R Free: 0.484 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.32212
940
5.1 %
RANDOM
Rwork
0.23646
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obs
0.24075
17363
99.01 %
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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