Mass: 18.015 Da / Num. of mol.: 314 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.7 Å3/Da / Density % sol: 54 %
Crystal grow
Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: MCSG1 screen G4: 20% PEG 3350, 200mM Na-tartrate; AcbaC.00137.c.B1.PS02364 at 22.7mg/ml with 3mM MgCl2 and AMPPNP; Cryo: 20% EG + compounds; tray: 262682g4; puck rrn3-1; iodide data set was ...Details: MCSG1 screen G4: 20% PEG 3350, 200mM Na-tartrate; AcbaC.00137.c.B1.PS02364 at 22.7mg/ml with 3mM MgCl2 and AMPPNP; Cryo: 20% EG + compounds; tray: 262682g4; puck rrn3-1; iodide data set was prepared by soaking a crystal from the same well in reservoir with 10%EG and 250mM NaI, and 20% EG and 500mM NaI
-
Data collection
Diffraction
ID
Mean temperature (K)
Crystal-ID
1
100
1
2
100
1
Diffraction source
Source
Site
Beamline
Type
ID
Wavelength (Å)
ROTATING ANODE
RIGAKU MICROMAX-007 HF
1
1.5418
SYNCHROTRON
APS
21-ID-G
2
0.97856
Detector
Type
ID
Detector
Date
RIGAKU SATURN 944+
1
CCD
Apr 17, 2015
RAYONIX MX-300
2
CCD
Apr 17, 2015
Radiation
ID
Protocol
Monochromatic (M) / Laue (L)
Scattering type
Wavelength-ID
Monochromator
1
SINGLEWAVELENGTH
M
x-ray
1
2
SINGLEWAVELENGTH
M
x-ray
2
[111]
Radiation wavelength
ID
Wavelength (Å)
Relative weight
1
1.5418
1
2
0.97856
1
Reflection
Number: 227924 / Rmerge(I) obs: 0.088 / Χ2: 1.1 / D res high: 2.45 Å / Num. obs: 39759 / % possible obs: 99.9
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