X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.2 277 20% PEG 4000, 0.1M sodium citrate, 20 % isopropanol, pH 7.2, VAPOR DIFFUSION, temperature 277K
Unit Cell:
a: 49.320 Å b: 49.320 Å c: 36.026 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.63 Solvent Content: 53.22
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 2.70 20.00 2553 124 99.63 0.23284 0.27942 50.872
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
2.7 50 98.7 ? 0.06 ? 2.9 ? 5336 ? 2 ?
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 2.7 2.8 90.1 ? 0.274 2.7 2.3 ?
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 1.2821 APS 24-ID-C
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
SOLVE phasing .
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