X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 285 008 M potassium chloride, 0.02 M magnesium chloride hexahydrate, 0.04 M sodium cacodylate trihydrate pH 6.0, 45% MPD, 12 mM spermine
Unit Cell:
a: 21.572 Å b: 57.042 Å c: 57.641 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 2 21 21
Crystal Properties:
Matthew's Coefficient: 2.07 Solvent Content: 40.56
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 FREE R-VALUE 2.34 40.54 3232 165 97.82 0.2101 0.2569 ?
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
2.34 57.64 99.3 0.075 ? 14.2 6 ? 3310 ? ? 77.34
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 2.34 2.42 ? ? ? 0.6 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 196 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 24-ID-C 0.97911 APS 24-ID-C
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
Coot model building 0.9.5
XDS data reduction .
XDS data scaling .
PHENIX phasing 1.21.2_5419
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