X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 290 0.1M BIS-TRIS PROPANE pH 6.5, 0.2 M SODIUM FLUORIDE, 20% (w/v) PEG 3350, vapor diffusion, hanging drop, temperature 290K
Unit Cell:
a: 62.370 Å b: 62.370 Å c: 11.730 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 1.95 Solvent Content: 36.81
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 SIRAS ? 0.9700 14.9810 15997 1601 99.8400 0.1138 0.1311 10.9748
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
0.970 14.9810 99.300 0.069 ? 12.660 ? ? ? ? -3.000 9.162
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 0.970 1.000 97.400 ? ? 2.420 ? ?
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 0.97911 APS 24-ID-C
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement 1.7_650
PDB_EXTRACT data extraction 3.10
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