X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 Buffer: 20 mM MOPS-KOH, pH 8.0, 80 mM KCl, 20%(v/v) glycerol, 3 mM MgCl2, 5 mM beta-ME, 0.015% (w/v) C12E8, 2.5 mM Pb(CH3COO)2, 3 mM AMPPNP, 1 mM MgCl2 Reservoir: 30% (v/v) jeffamine and 0.1 M sodium citrate, pH 5.2
Unit Cell:
a: 100.193 Å b: 337.985 Å c: 56.423 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.52 Solvent Content: 51.10
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 3.58 49.56 23484 1176 99.79 0.2788 0.3153 ?
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
3.58 50 99.8 ? ? 5.7 7.87 ? 23484 ? ? ?
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 3.58 3.80 ? ? ? ? ? ?
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 SLS BEAMLINE X06SA 1 SLS X06SA
Software
Software Name Purpose Version
PHENIX refinement (dev_4386: ???)
Coot model building 0.8.9.1
XDS data reduction 20190315
XDS data scaling 20190315
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