X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 298 0.2M Na Tartrate, 0.1M TRIS pH 8.5, 25% PEG3350
Unit Cell:
a: 76.436 Å b: 76.436 Å c: 181.682 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 4 2 2
Crystal Properties:
Matthew's Coefficient: 2.92 Solvent Content: 57.90
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 2.49 24.58 9859 493 99.62 0.1590 0.2110 40.27
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
2.49 25.0 100 0.134 ? 18.74 13.8 ? 9859 ? ? 35.89
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 2.50 2.54 ? ? ? 2.59 ? ?
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
ROTATING ANODE RIGAKU MICROMAX-007 1.5418 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.15_3448
HKL-3000 data reduction .
HKL-3000 data scaling .
BALBES phasing .
PHENIX model building .
Coot model building .
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