X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 PEG 8000, SODIUM ACETATE, MES, ADP, GLUCOSE, GLUCOSE-6-PHOSPHATE. GROWN CRYSTALS WERE SOAKED WITH THE SAME BUFFER, BUT W/O GLUCOSE-6-PHOSPHATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 145.780 Å b: 146.830 Å c: 58.590 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 3.06 Solvent Content: 59.76
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 ? ? 2.8 8.0 23882 1241 78.0 0.2600000 0.3080000 ?
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
2.77 50.0 78.0 0.0640000 ? 15 2.64 65575 25465 ? ? 54.0
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 2.77 2.98 57.0 ? ? ? 2.0 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 110 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 14-BM-D ? APS 14-BM-D
Software
Software Name Purpose Version
AMoRE phasing .
REFMAC refinement .
DENZO data reduction .
SCALEPACK data scaling .
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