X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 295 0.2M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 30% PEG MME 2000, 2% Sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 62.229 Å b: 65.446 Å c: 130.706 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.02 Solvent Content: 39.16
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 2.00 45.08 35462 1760 96.90 0.18875 0.24912 32.396
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
2.0 50.0 96.2 0.096 ? 37.6 7 66550 63778 ? ? ?
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 2.00 2.07 78.0 ? ? 6.6 5.5 5357
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 19-ID 0.97935 APS 19-ID
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
ADSC data collection Quantum
HKL-2000 data reduction .
HKL-2000 data scaling .
HKL-3000 phasing .
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