Mass: 18.015 Da / Num. of mol.: 310 / 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: 2.34 Å3/Da / Density % sol: 47 %
Crystal grow
Temperature: 294.15 K / Method: microbatch / pH: 5.5 Details: 2 micro liters of 18 mg/ml protein solution containing 1 mM XMP, 1 mM PPi, 20 mM MgCl2 was mixed with an equal volume of crystallization condition containing 20 % (w/v) PEG 1500 and 0.1 M MIB buffer pH 5.5
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source
Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR / Wavelength: 1.54 Å
Detector
Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Oct 23, 2017
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54 Å / Relative weight: 1
Reflection
Resolution: 2.1→52.53 Å / Num. obs: 76858 / % possible obs: 100 % / Redundancy: 7.6 % / Biso Wilson estimate: 32.1 Å2 / CC1/2: 0.989 / Net I/σ(I): 8.9
Reflection shell
Resolution: 2.1→2.14 Å / Redundancy: 7.5 % / Mean I/σ(I) obs: 1.7 / Num. unique obs: 4500 / CC1/2: 0.645 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
iMOSFLM
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2DPL