X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.8M NaH2PO4, 1.2M KH2PO4, 0.1M Na Acetate, pH 4.5
Unit Cell:
a: 129.617 Å b: 129.617 Å c: 144.898 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.36 Solvent Content: 63.42
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 FREE R-VALUE 2.45 33.25 37346 2892 61.21 0.1920 0.2227 43.43
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
2.45 50 89.6 0.122 ? 4.286 2.4 ? 46502 ? ? 35.42
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 2.45 2.54 ? ? ? ? ? ?
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-II BEAMLINE 19-ID 0.97857 NSLS-II 19-ID
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
DENZO data reduction .
SCALEPACK data scaling .
BALBES phasing .
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