X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 ? pH 8.0
Unit Cell:
a: 47.600 Å b: 54.700 Å c: 64.000 Å α: 104.00° β: 102.50° γ: 91.90°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.94 Solvent Content: 58.0
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 MAD THROUGHOUT 3.0 6.0 10068 ? 93.5 0.2020000 0.3420000 ?
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
3.0 16.0 93.5 0.0520000 ? 13 1.6 ? 22778 ? ? ?
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 3.0 3.14 94.9 ? 3.4 1.6
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 NSLS BEAMLINE X4A 0.9690, 0.97915, 0.97938 NSLS X4A
Software
Software Name Purpose Version
SHARP phasing .
X-PLOR refinement 3.854
DENZO data reduction .
SCALEPACK data scaling .
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