X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 0.1 M potassium thiocyanate and 30% polyethylene glycol monomethyl ether 2000
Unit Cell:
a: 38.025 Å b: 72.285 Å c: 76.968 Å α: 65.35° β: 89.96° γ: 89.19°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.72
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 THROUGHOUT 1.50 20.00 111596 5996 98.57 0.18431 0.22961 26.764
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
1.50 20.0 98.7 0.14 ? 7.0 9.5 ? 111596 ? ? 18.4
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 1.50 1.53 91.6 ? ? 1.1 ? ?
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 NSLS BEAMLINE X17B1 0.92010 NSLS X17B1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
Aimless data scaling .
PHASER phasing .
PDB_EXTRACT data extraction .
XDS data reduction .
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