X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 200mM ammonium tartrate, 12.5% PEG 3350, pH 8.0, vapor diffusion, hanging drop, temperature 293K
Unit Cell:
a: 121.460 Å b: 60.260 Å c: 38.460 Å α: 90.000° β: 99.040° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.21 Solvent Content: 44.37
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 . THROUGHOUT 2.200 15.000 13972 698 100.000 0.211 0.246 33.469
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
2.20 50.00 99.3 0.059 0.059 10.72 2.1 27377 27196 0 -3 38.08
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 2.20 2.26 99.7 ? 0.382 2.71 2.1 2049
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 SLS BEAMLINE X06DA 0.979 SLS X06DA
Software
Software Name Purpose Version
REFMAC refinement 5.5.0102
PDB_EXTRACT data extraction 3.006
XDS data reduction .
XDS data scaling .
autoSHARP phasing .
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