X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 100mM Bis-Tris, pH=5.9, 200mM NaCl, 200mM MgCl2, 12% PEG8000, 5% glycerol, 3% DMSO, 3% Ethylene glycol, 10mM DTT
Unit Cell:
a: 250.658 Å b: 84.953 Å c: 243.892 Å α: 90.00° β: 93.81° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.78 Solvent Content: 55.68
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 THROUGHOUT 2.90 44.37 107024 5708 98.77 0.26467 0.30942 63.860
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
2.90 44.37 99.0 0.218 ? 5.6 7.0 ? 112772 ? ? ?
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 2.90 2.95 99.5 ? ? 1.8 7.3 ?
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 SSRF BEAMLINE BL18U1 0.97915 SSRF BL18U1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0253
PDB_EXTRACT data extraction .
XDS data reduction .
Aimless data scaling .
MOLREP phasing .
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