X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.4 300 1.4M ammonium sulfate, 100mM KH2PO4-K2HPO4, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Unit Cell:
a: 103.173 Å b: 103.173 Å c: 58.538 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31 2 1
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.40
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 ? 2.8 20 ? ? ? ? 0.285 ?
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
2.8 20 99.6 0.105 ? ? ? ? 9070 ? ? ?
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 2.8 2.9 100 ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 113 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU 1.5418 ? ?
Software
Software Name Purpose Version
CrystalClear data collection .
CrystalClear data reduction (MSC/RIGAKU)
AMoRE phasing .
CNS refinement .
CrystalClear data scaling (MSC/RIGAKU)
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