Mass: 18.015 Da / Num. of mol.: 430 / 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: 2.04 Å3/Da / Density % sol: 39.57 %
Crystal grow
Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 15 mg/mL in 5 mM tris-HCl 7.5, 100 mM NaCl 1.0 mM MnCl2, 20 % glycerol and 20 % PEG 1500
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: PETRA III, DESY / Beamline: P11 / Wavelength: 1.033 Å
Detector
Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Oct 30, 2015
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.033 Å / Relative weight: 1
Reflection
Resolution: 1.8→44.651 Å / Num. obs: 77447 / % possible obs: 93.6 % / Redundancy: 3.4 % / Net I/σ(I): 9.9
Reflection shell
Resolution: 1.8→1.84 Å
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Processing
Software
Name
Version
Classification
PHENIX
1.9_1692
refinement
XDS
datareduction
XSCALE
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4M8D