X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.8 277 18% PEG 3350, 0.1M Mg acetate, 0.2 M sodium fluoride, pH 6.8, VAPOR DIFFUSION, temperature 277K
Unit Cell:
a: 29.166 Å b: 80.459 Å c: 55.357 Å α: 90.00° β: 101.76° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.95 Solvent Content: 36.79
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 SAD THROUGHOUT 1.50 20.00 36934 1979 97.59 0.19822 0.21748 15.674
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
1.5 50 97.7 ? 0.089 ? 3.2 ? 38947 ? 2.0 ?
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 1.5 1.55 95.7 ? ? 3.4 3.1 ?
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 1.2827 APS 24-ID-C
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
ADSC data collection Quantum
HKL-2000 data reduction .
HKL-2000 data scaling .
SHARP phasing .
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