X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277.15 1) 50mM MES pH 6.0 , 4% MPD , 80mM Ammonium sulfate , 18% PEG 8000 2) 50mM MES pH 6.0, 20% PEG 3350 3) 50mM MES pH 6.0 , 4% MPD , 0.2M Ammonium sulfate , 20% PEG 3350
Unit Cell:
a: 80.586 Å b: 80.586 Å c: 110.755 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 3.13 Solvent Content: 60.76
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 FREE R-VALUE 1.60 69.79 52599 5067 99.0867057534 0.193489922461 0.216302265951 45.5093514939
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
1.6 69.79 99.6 0.073 ? 14.33 10.1 104899 52962 ? ? 34.7817722306
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 1.60 1.69 ? ? ? ? ? ?
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 1.000 SLS X06DA
Software
Software Name Purpose Version
PHENIX refinement 1.12_2829
XDS data reduction .
PHASER phasing .
Aimless data scaling .
Coot model building .
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