X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 293 1.8-2.0 M ammonium sulfate 0.2-0.5 M di-ammonium tartrate 0.1 M sodium acetate (pH 5.0)
Unit Cell:
a: 51.060 Å b: 51.060 Å c: 77.140 Å α: 100.390° β: 108.060° γ: 93.300°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.50 Solvent Content: 50.79
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 1.85 45.64 60002 3001 97.04 0.1993 0.2400 27.75
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
1.85 50 96.9 ? ? 11.2 3.55 ? 60002 ? ? 23.47
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 1.85 1.96 ? ? ? ? ? ?
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 SLS BEAMLINE X06DA 1.0000 SLS X06DA
Software
Software Name Purpose Version
PHENIX refinement v2.8
XDS data reduction .
XDS data scaling .
PHASER phasing .
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