Diffraction | ID | Mean temperature (K) | Crystal-ID |
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1 | 100 | 1 | 2 | | 1 | 3 | | 1 |
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Diffraction source | Source | Site | Beamline | ID | Wavelength (Å) |
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SYNCHROTRON | SSRL ![](img/flg_usa.gif) | BL14-1 | 1 | 1 | SYNCHROTRON | SSRL ![](img/flg_usa.gif) | BL7-1 | 2 | 0.97591, 0.979369 | SSRL ![](img/flg_usa.gif) | BL7-1 | 3 | | |
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Detector | Type | ID | Detector | Date | Details |
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MARMOSAIC 325 mm CCD | 1 | CCD | Feb 22, 2014 | MirrorsADSC QUANTUM 315r | 2 | CCD | Feb 22, 2014 | | |
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Radiation | ID | Monochromator | Protocol | Monochromatic (M) / Laue (L) | Scattering type | Wavelength-ID |
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1 | Si(111)SINGLE WAVELENGTHMx-ray | 1 | 2 | Si(111)MADMx-ray | 2 | 3 | Si(111)MADMx-ray | 3 | | | | | | | | | |
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Radiation wavelength | ID | Wavelength (Å) | Relative weight |
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1 | 1 | 1 | 2 | 0.97591 | 1 | 3 | 0.979369 | 1 |
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Reflection | Resolution: 2→120.7 Å / Num. all: 52399 / Num. obs: 52381 / % possible obs: 99.96 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 11.1 % / Biso Wilson estimate: 27.1 Å2 / Rsym value: 0.093 / Net I/σ(I): 24.5 |
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Reflection shell | Resolution (Å) | Redundancy (%) | Rmerge(I) obs | Mean I/σ(I) obs | Num. unique all | Diffraction-ID | % possible all |
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2.08-2.14 | 11.2 | 0.851 | 3.3 | 3726 | 1,2100 | 2.03-2.08 | 9.4 | 0.978 | 2.5 | 3832 | 1,2100 | 2.08-2.14 | 11.2 | 0.851 | 3.3 | 3726 | 1,2100 | 2.14-2.2 | 11.3 | 0.677 | 4.1 | 3633 | 1,2100 | 2.2-2.27 | 11.3 | 0.546 | 5.1 | 3532 | 1,2100 | 2.27-2.35 | 11.2 | 0.427 | 6.7 | 3426 | 1,2100 | 2.35-2.4 | 11.3 | 0.354 | 7.9 | 3315 | 1,2100 | 2.4-2.5 | 11.3 | 0.304 | 9.2 | 3206 | 1,2100 | 2.5-2.6 | 11.3 | 0.234 | 11.6 | 3064 | 1,2100 | 2.6-2.8 | 11.3 | 0.188 | 14.3 | 2973 | 1,2100 | 2.8-2.9 | 11.3 | 0.146 | 17.9 | 2842 | 1,2100 | 2.9-3.1 | 11.3 | 0.108 | 23.1 | 2707 | 1,2100 | 3.1-3.3 | 11.3 | 0.076 | 31.9 | 2548 | 1,299.9 | 3.3-3.5 | 11.2 | 0.056 | 41.2 | 2438 | 1,299.9 | 3.5-3.8 | 11.2 | 0.044 | 50.9 | 2253 | 1,299.9 | 4.2-4.8 | 11.2 | 0.028 | 76.4 | 1897 | 1,299.9 | 4.8-5.7 | 11 | 0.028 | 80.2 | 1683 | 1,299.8 | 5.7-7.3 | 10.9 | 0.03 | 69.5 | 1434 | 1,299.7 | 7.3-12.6 | 10.7 | 0.026 | 75.9 | 1144 | 1,299.5 | 12.6-120.7 | 9.9 | 0.018 | 90 | 659 | 1,298.6 | | | | | | | | | | | | | | | | | | | | |
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