X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.2 ? 35% PEG 3350, 200MM NACL, 25 MM MES PH 6.2, VAPOR DIFFUSION, HANGING DROP
Unit Cell:
a: 42.300 Å b: 55.900 Å c: 133.600 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.26 Solvent Content: 45.48
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 ISOMORPHOUS MOLECULAR REPLACEMENT THROUGHOUT 2.000 20.000 9959 1094 89.600 0.2100000 0.2620000 32.20
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
2.000 20.000 89.600 ? 0.0340000 39.5000 3.000 ? 9959 ? -2.000 ?
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 2.000 2.070 82.90 0.0540000 19.40 1.800
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 130.00 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RU200 ? ? ?
Software
Software Name Purpose Version
X-PLOR model building .
X-PLOR refinement 3.843
DENZO data reduction .
SCALEPACK data scaling .
X-PLOR phasing .
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