Diffraction | ID | Mean temperature (K) | Crystal-ID |
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1 | 100 | 1 | 2 | 100 | 1 |
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Diffraction source | Source | Site | Beamline | Type | ID | Wavelength (Å) |
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ROTATING ANODE | | | RIGAKU FR-E+ SUPERBRIGHT | 1 | 1.54 | SYNCHROTRON | ALS ![](img/flg_usa.gif) | 8.3.1 | 2 | 0.9796, 0.9797, 0.95373 | |
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Detector | Type | ID | Detector | Date | Details |
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RIGAKU RAXIS IV | 1 | IMAGE PLATE | Dec 16, 2004 | Osmic Confocal Max-Flux optics | ADSC QUANTUM 210 | 2 | CCD | Jun 9, 2005 | |
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Radiation | ID | Monochromator | Protocol | Monochromatic (M) / Laue (L) | Scattering type | Wavelength-ID |
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1 | Osmic Confocal MaxFluxSINGLE WAVELENGTHMx-ray | 1 | 2 | Double flat crystal, Si(111)MADMx-ray | 1 | | | | | | |
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Radiation wavelength | ID | Wavelength (Å) | Relative weight |
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1 | 1.54 | 1 | 2 | 0.9796 | 1 | 3 | 0.9797 | 1 | 4 | 0.95373 | 1 |
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Reflection | Redundancy: 8.2 % / Av σ(I) over netI: 10.5 / Number: 156671 / Rmerge(I) obs: 0.088 / Χ2: 0.87 / D res high: 1.99 Å / D res low: 50 Å / Num. obs: 19033 / % possible obs: 100 |
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Diffraction reflection shell | Highest resolution (Å) | Lowest resolution (Å) | % possible obs (%) | ID | Rmerge(I) obs | Chi squared | Redundancy |
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4.29 | 50 | 99.9 | 1 | 0.059 | 1.6 | 8.3 | 3.4 | 4.29 | 100 | 1 | 0.063 | 1.406 | 8.5 | 2.97 | 3.4 | 100 | 1 | 0.077 | 1.037 | 8.5 | 2.7 | 2.97 | 100 | 1 | 0.097 | 0.898 | 8.6 | 2.51 | 2.7 | 100 | 1 | 0.119 | 0.705 | 8.5 | 2.36 | 2.51 | 100 | 1 | 0.143 | 0.679 | 8.5 | 2.24 | 2.36 | 100 | 1 | 0.173 | 0.632 | 8.5 | 2.14 | 2.24 | 100 | 1 | 0.205 | 0.58 | 8.5 | 2.06 | 2.14 | 100 | 1 | 0.249 | 0.551 | 7.8 | 1.99 | 2.06 | 99.7 | 1 | 0.315 | 0.503 | 6.5 |
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Reflection | Resolution: 1.8→37.06 Å / Num. all: 24921 / Num. obs: 24921 / % possible obs: 99.1 % / Observed criterion σ(F): 0 / Redundancy: 9.5 % / Biso Wilson estimate: 25.1 Å2 / Limit h max: 34 / Limit h min: 0 / Limit k max: 34 / Limit k min: 0 / Limit l max: 50 / Limit l min: 0 / Observed criterion F max: 460920.71 / Observed criterion F min: 2.97 / Rmerge(I) obs: 0.05 / Net I/σ(I): 21.9 |
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Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 3.59 % / Rmerge(I) obs: 0.387 / Mean I/σ(I) obs: 3.3 / Num. unique all: 2272 / % possible all: 91.6 |
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