X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 2.2 M sodium chloride; 0.1 M sodium acetate trihydrate, pH 4.6
Unit Cell:
a: 57.460 Å b: 57.460 Å c: 99.032 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.54
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 2.00 22.23 6826 683 97.31 0.2320 0.2642 38.73
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
2.00 22.23 99.9 ? ? 85.0 161.5 ? 7049 ? ? 28.78
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 2.00 2.05 100.0 ? ? 8.1 146.7 ?
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
SEALED TUBE RIGAKU PhotonJet-S 1.54184 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
CrysalisPro data reduction .
Aimless data scaling .
PHASER phasing .
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