X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 200 mM Li2SO4, 100 mM Bis-tris/HCl, pH 6.5, 25 % PEG 3350 Protein 5 mg per mL in 500 mM NaCl, 25 mM TRIS/HCl, pH 8.5 2 parts protein mixed with one part Reservoir Soaking with AMPPNP/MgCl2
Unit Cell:
a: 128.712 Å b: 128.712 Å c: 124.790 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.73 Solvent Content: 54.88
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 2.09 91.01 40781 2037 65.11 0.1896 0.2374 42.41
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
2.088 91.013 65.2 0.388 ? 9.1 11.2 ? 40809 ? ? 32.62
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 2.088 2.39 ? ? ? 1.6 ? ?
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 ESRF BEAMLINE ID30B 0.91840 ESRF ID30B
Software
Software Name Purpose Version
autoPROC data processing .
PHENIX refinement 1.20.1_4487
XDS data reduction .
Aimless data scaling .
STARANISO data scaling .
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