X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 0.1 M BIS-TRIS pH 6.5, 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 52.370 Å b: 207.022 Å c: 119.629 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 4.13 Solvent Content: 70.21
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 (using a smaller construct) and MR R-Free 2.7010 29.8880 16224 825 88.4500 0.2540 0.3058 82.6751
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
2.700 50.000 99.000 0.087 ? 11.200 10.300 ? 18040 ? ? ?
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 2.700 2.800 96.300 ? ? ? 10.400 1721
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 0.9792 APS 24-ID-C
Software
Software Name Purpose Version
SCALEPACK data scaling .
PHENIX refinement 1.6.1_357
PDB_EXTRACT data extraction 3.10
ADSC data collection Quantum
HKL-2000 data reduction .
AutoSol phasing .
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