Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM30A / Wavelength: 0.91950, 0.91984, 0.91637 |
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Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 25, 2007 |
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Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
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Radiation wavelength | ID | Wavelength (Å) | Relative weight |
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1 | 0.9195 | 1 | 2 | 0.91984 | 1 | 3 | 0.91637 | 1 |
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Reflection | Redundancy: 9.9 % / Av σ(I) over netI: 5.1 / Number: 33495 / Rmerge(I) obs: 0.084 / Rsym value: 0.084 / D res high: 2.301 Å / D res low: 37.406 Å / Num. obs: 3368 / % possible obs: 100 |
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Diffraction reflection shell | Highest resolution (Å) | Lowest resolution (Å) | % possible obs (%) | ID | Rmerge(I) obs | Rsym value | Redundancy |
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7.27 | 37.41 | 99.4 | 1 | 0.07 | 0.07 | 8.3 | 5.14 | 7.27 | 99.9 | 1 | 0.056 | 0.056 | 9 | 4.2 | 5.14 | 100 | 1 | 0.065 | 0.065 | 9.3 | 3.64 | 4.2 | 100 | 1 | 0.079 | 0.079 | 9.7 | 3.25 | 3.64 | 100 | 1 | 0.076 | 0.076 | 9.9 | 2.97 | 3.25 | 100 | 1 | 0.081 | 0.081 | 9.9 | 2.75 | 2.97 | 100 | 1 | 0.095 | 0.095 | 10.1 | 2.57 | 2.75 | 100 | 1 | 0.146 | 0.146 | 10.3 | 2.42 | 2.57 | 100 | 1 | 0.233 | 0.233 | 10.5 | 2.3 | 2.42 | 100 | 1 | 0.304 | 0.304 | 10.5 |
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Reflection | Resolution: 2.3→37.432 Å / Num. obs: 3374 / % possible obs: 99.9 % / Redundancy: 9.9 % / Rmerge(I) obs: 0.072 / Rsym value: 0.072 / Net I/σ(I): 5.9 |
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Reflection shell | Resolution (Å) | Redundancy (%) | Rmerge(I) obs | Mean I/σ(I) obs | Num. measured all | Num. unique all | Rsym value | % possible all |
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2.3-2.42 | 10.5 | 0.263 | 2.4 | 4921 | 470 | 0.263 | 100 | 2.42-2.57 | 10.4 | 0.181 | 3.5 | 4794 | 463 | 0.181 | 100 | 2.57-2.75 | 10.2 | 0.116 | 4.8 | 4393 | 431 | 0.116 | 100 | 2.75-2.97 | 10 | 0.085 | 6.5 | 4033 | 404 | 0.085 | 100 | 2.97-3.25 | 9.9 | 0.07 | 6 | 3789 | 382 | 0.07 | 100 | 3.25-3.64 | 9.9 | 0.065 | 7.8 | 3269 | 331 | 0.065 | 100 | 3.64-4.2 | 9.7 | 0.072 | 7.7 | 2931 | 302 | 0.072 | 100 | 4.2-5.14 | 9.4 | 0.059 | 8.5 | 2442 | 261 | 0.059 | 100 | 5.14-7.27 | 9 | 0.047 | 9.6 | 1897 | 210 | 0.047 | 100 | 7.27-37.43 | 8.3 | 0.052 | 9.3 | 996 | 120 | 0.052 | 97.2 |
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