X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.3 293 100mM Tris, 25%PEG3350, mM DTT, pH 8.3, VAPOR DIFFUSION, temperature 293K
Unit Cell:
a: 37.640 Å b: 61.460 Å c: 64.290 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.12 Solvent Content: 42.01
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 SIRAS THROUGHOUT 2.10 15 7974 394 91.27 0.18308 0.22833 22.881
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
2.1 15 96.7 0.118 ? ? 5.6 12272 11866 2 2 15.75
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 2.14 2.25 100 ? ? 3.7 6.24 1206
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
ROTATING ANODE RIGAKU MICROMAX-002+ 1.5418 ? ?
Software
Software Name Purpose Version
CrystalClear data collection .
PHENIX model building .
REFMAC refinement 5.6.0117
CrystalClear data reduction .
SCALA data scaling .
PHENIX phasing .
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