X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.2 293 9% (w/v) PEG 6,000, 150 mM sodium citrate pH 5.2, 5 mM TCEP, 150 mM NaCl, 20 mM Tris pH 7.5, 15% ethylene glycol.
Unit Cell:
a: 66.733 Å b: 88.779 Å c: 160.296 Å α: 90.000° β: 93.170° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.92 Solvent Content: 57.87
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 2.7980 36.2400 44294 2004 95.5000 0.2293 0.2673 58.3625
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 36.24 99.800 0.106 ? 6.700 4.500 ? 51321 ? ? 44.640
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 2.750 97.900 ? ? ? 3.800 ?
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 19-ID 0.97935 APS 19-ID
Software
Software Name Purpose Version
HKL-3000 data scaling .
MLPHARE phasing .
PHENIX refinement 1.10.1_2155
PDB_EXTRACT data extraction 3.20
HKL-3000 data reduction .
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