X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 ? 0.1 M TRIS/HCL PH 8.5 20% PEG8000 0.2 M MGCL2
Unit Cell:
a: 98.454 Å b: 98.454 Å c: 126.138 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 3.09 Solvent Content: 60.25
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT THROUGHOUT 1.80 25.87 48586 2561 92.56 0.18728 0.21260 44.525
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.80 25.90 92.6 0.03 ? 18.11 2.9 ? 51147 ? -3.0 ?
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.80 1.85 74.0 ? 2.42 2.8
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSRRC BEAMLINE BL13B1 ? NSRRC BL13B1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0131
HKL-2000 data reduction .
SCALEPACK data scaling .
PHASER phasing .
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