X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 ammonium phosphate monobasic, tris, sodium chloride
Unit Cell:
a: 87.447 Å b: 115.800 Å c: 207.810 Å α: 90.00° β: 99.71° γ: 90.00°
Symmetry:
Space Group: I 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.66 Solvent Content: 53.76
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 2.50 29.41 61139 2000 86.65 0.2563 0.3201 ?
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
2.50 29.41 94.9 ? ? 3.8 16.9 ? 67019 ? ? ?
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 2.56 90.2 ? ? ? 13.2 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293.15 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU PhotonJet-R 1.54184 ? ?
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
PHASER phasing 2.7.17
PDB_EXTRACT data extraction V4.3
CrysalisPro data reduction 171.43
CrysalisPro data scaling 171.43
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