X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.4 293 Protein at 4.4 mg/mL in 50 mM Tris (pH 7.5) amd 150 mM NaCl. Well solution contained 28% (w/v) PEG1500, 100 mM Na-citrate (pH 5.4). 400 nL of well solution and protein solution were combined.
Unit Cell:
a: 100.070 Å b: 40.310 Å c: 137.020 Å α: 90.00° β: 101.20° γ: 90.00°
Symmetry:
Space Group: I 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.61 Solvent Content: 52.84
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 . THROUGHOUT 2.60 49.08 15980 851 99.23 0.22788 0.28660 15.675
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
2.60 49.08 99.3 0.056 . 9.0 7.0 . 16831 . . .
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
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 AUSTRALIAN SYNCHROTRON BEAMLINE MX2 0.954 Australian Synchrotron MX2
Software
Software Name Purpose Version
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