X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 20 % PEG 8000, 0.2 M ammonium citrate, 0.1 M HEPES pH 7.0
Unit Cell:
a: 126.239 Å b: 126.239 Å c: 66.782 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 31 2 1
Crystal Properties:
Matthew's Coefficient: 3.07 Solvent Content: 59.98
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 1.70 31.56 67434 3330 99.97 0.1435 0.1613 24.81
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
1.70 45.87 100.0 0.102 ? 12.7 10.2 ? 67479 ? ? 20.96
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 1.70 1.73 100.0 ? ? 2.2 10.2 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON MAX IV BEAMLINE BioMAX 0.9763 MAX IV BioMAX
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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