X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 20% (w/v) PEG 3000, 100 mM Imidazole/ Hydrochloric acid pH 8.0, 200 mM Zinc acetate
Unit Cell:
a: 53.874 Å b: 53.874 Å c: 78.021 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 46.96
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 2.30 29.93 5871 584 95.40 ? 0.3033 ?
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
2.3 29.93 95.35 0.1926 ? 27.58 9.5 ? 6153 ? ? 17.33
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 2.3 2.382 99.67 ? ? 12.78 10.1 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 181 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE Cu FINE FOCUS 1.54184 ? ?
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
PDB_EXTRACT data extraction .
PHENIX model building .
Coot model building .
PHASER phasing .
XDS data reduction .
HKL-2000 data scaling .
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