X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6 293 8 - 14 % (w/v) polyethylene glycol (PEG) 3350, 0.1 M (NH4)2SO4, and 0.1 M Bis-Tris at pH 5.5 - 6.5. , VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 109.032 Å b: 109.032 Å c: 181.246 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.50
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 THROUGHOUT 1.9510 40.4740 88275 4428 99.8500 0.1782 0.2023 27.6249
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
1.950 50.000 99.900 0.061 ? 10.400 6.600 ? 88348 ? ? 27.330
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 1.950 2.020 100.000 ? ? ? 6.500 8802
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 0.979 APS 24-ID-C
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
PHENIX refinement 1.8_1069
PDB_EXTRACT data extraction 3.14
HKL-2000 data reduction .
HKL-2000 data scaling .
MOLREP phasing .
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