X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 294 10% MPD, 40 mM Sodium cacodylate trihydrate pH 6.0 12 mM Spermine, 80 mM KCl
Unit Cell:
a: 43.038 Å b: 43.038 Å c: 127.318 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.17 Solvent Content: 43.73
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 FREE R-VALUE 1.801 37.300 24365 1252 99.730 ? 0.2459 39.270
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
1.80 37.3 99.7 0.090 ? 11.5 10.3 ? 24409 0 -3 ?
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 1.80 1.84 98.7 ? ? 1.6 7.3 ?
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 SSRL BEAMLINE BL12-1 0.91943 SSRL BL12-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
Aimless data scaling .
XDS data reduction .
PDB_EXTRACT data extraction .
AutoSol phasing .
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