X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 277 Calcium Chloride, Sodium Cacodylate, pH 6.0, PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 92.400 Å b: 92.400 Å c: 212.500 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 3.03 Solvent Content: 59.39
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 ? 2.30 25.21 23379 2316 94.7 0.225 0.257 58.94
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
2.300 50.000 99.6 0.11200 ? 14.3000 9.200 ? 24522 ? ? ?
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 2.30 2.38 100.0 ? ? ? 9.50 ?
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 APS BEAMLINE 24-ID-C ? APS 24-ID-C
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
CNS refinement .
PDB_EXTRACT data extraction 3.005
CNS phasing .
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