Mass: 506.196 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C10H17N6O12P3 / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: RNA helicase / Comment: AMP-PNP, energy-carrying molecule analogue*YM
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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: 2.86 Å3/Da / Density % sol: 57.01 %
Crystal grow
Temperature: 292 K / Method: microbatch Details: Crystallization buffer was prepared by mixing a solution containing 100 mM MES-NaOH, pH 6.0, 100 mM NaOAc, 8% PEG 10K and an additive solution (20% acetonitrile, 5% n-Dodecyl-?-D-maltoside) ...Details: Crystallization buffer was prepared by mixing a solution containing 100 mM MES-NaOH, pH 6.0, 100 mM NaOAc, 8% PEG 10K and an additive solution (20% acetonitrile, 5% n-Dodecyl-?-D-maltoside) in a 5:1 (v:v).Microbatch drops were formed by mixing 1.8 ?l of the crystallization buffer with 1.2 ?l of the preformed complex
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I911-3 / Wavelength: 1 Å
Detector
Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Dec 1, 2012
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 4.2→30 Å / Num. obs: 15735 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / Redundancy: 6.05 % / Biso Wilson estimate: 121.22 Å2 / CC1/2: 0.99 / Rmerge(I) obs: 0.255 / Net I/σ(I): 8.67
Reflection shell
Resolution (Å)
Highest resolution (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Diffraction-ID
% possible all
4.2-4.34
1.054
2.08
1
99.9
4.34-4.49
0.847
2.63
1
99.9
4.49-4.67
0.671
3.21
1
100
4.67-4.88
0.627
3.5
1
100
4.88-5.14
0.542
3.97
1
99.9
5.14-5.46
0.512
4.09
1
100
5.46-5.87
0.457
4.64
1
99.9
5.87-6.46
0.361
5.69
1
99.9
6.46-7.38
0.211
8.92
1
100
7.38-9.25
0.084
19.46
1
100
9.25
0.038
34.24
1
95.7
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Processing
Software
Name
Version
Classification
PHENIX
dev_1839
refinement
XSCALE
datascaling
PDB_EXTRACT
3.2
dataextraction
XDS
datareduction
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3KX2
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