X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295.15 1200mM NaH2PO4, 200mM (NH4)2SO4, 200mM Li2SO4, 100mM CAPS (pH 10.5)
Unit Cell:
a: 164.980 Å b: 164.980 Å c: 426.140 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 4.25 Solvent Content: 71.08
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 4.54 29.92 20332 1999 98.83 0.2810 0.2952 168.14
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
4.54 29.92 98.32 ? ? 16.24 38.5 ? 20332 ? ? 118.67
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 4.54 4.70 91.91 ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 295.15 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON PAL/PLS BEAMLINE 5C (4A) 1.0 PAL/PLS 5C (4A)
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
PHENIX refinement 1.17.1_3660
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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