X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 293 10 mM Hepes at pH 7, 1 mM CaCl2, 100 mM NaCl, at a protein concentration of 10-20 mg/ml
Unit Cell:
a: 37.780 Å b: 44.520 Å c: 46.180 Å α: 103.70° β: 101.30° γ: 103.20°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.96
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 MOLECULAR REPLACEMENT NONE 0.74 25 358975 ? 98.4 ? ? 9
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
0.74 25 98.4 ? 0.047 27.5 7.4 ? 358975 ? ? 9
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 0.74 0.75 95.6 ? 0.156 7 ? ?
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 EMBL/DESY, HAMBURG BEAMLINE X13 0.8020 EMBL/DESY, HAMBURG X13
Software
Software Name Purpose Version
SHELX refinement .
SCALEPACK data scaling .
DENZO data reduction .
AMoRE phasing .
PDB_EXTRACT data extraction .
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