X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 291 0.1 M sodium chloride, 0.1 M sodium formate, 0.1 M Bis-Tris propane, pH 8.5, 25 % v/v PEG Smear Medium
Unit Cell:
a: 67.976 Å b: 73.744 Å c: 134.064 Å α: 90.64° β: 103.73° γ: 114.95°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.18
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 2.51 29.70 75451 3835 97.43 0.1669 0.2131 ?
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
2.51 30 97.4 0.178 ? 3.8 3.5 ? 75466 ? ? ?
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 2.51 2.57 86 ? ? 1.2 3.6 ?
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 CHESS BEAMLINE 7B2 0.9686 CHESS 7B2
Software
Software Name Purpose Version
PHENIX refinement (1.21_5207: ???)
Aimless data scaling .
DIALS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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