Mass: 18.015 Da / Num. of mol.: 30 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interest
Y
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.43 Å3/Da / Density % sol: 44.5 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: crystal growth conditions: 80 mM sodium acetate trihydrate pH 4.5 and 1.4 - 1.5 M sodium formate. cryoprotectant was the crystal growth conditions plus 10 mM proline and 20% glycerol. ...Details: crystal growth conditions: 80 mM sodium acetate trihydrate pH 4.5 and 1.4 - 1.5 M sodium formate. cryoprotectant was the crystal growth conditions plus 10 mM proline and 20% glycerol. crystals were briefly (< 1min) swished through cryoprotectant before flash frozen in liquid nitrogen Temp details: room temperature
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Data collection
Diffraction
Mean temperature: 80 K / Ambient temp details: collected under cryostream / Serial crystal experiment: N
Diffraction source
Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
Detector
Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Mar 31, 2019
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.8→50 Å / Num. obs: 26946 / % possible obs: 99.99 % / Redundancy: 20 % / CC1/2: 0.99 / CC star: 0.997 / Rmerge(I) obs: 0.063 / Rpim(I) all: 0.064 / Rrim(I) all: 0.089 / Net I/σ(I): 30
Reflection shell
Resolution: 1.8→1.83 Å / Num. unique obs: 1304 / CC1/2: 0.208 / CC star: 0.586
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Processing
Software
Name
Version
Classification
PHENIX
1.17.1_3660
refinement
HKL-2000
datascaling
PDB_EXTRACT
3.25
dataextraction
HKL-2000
datareduction
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3c8c
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