X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.6 293.15 Precipitant: 0.1 M Bis-Tris, 0.2 M sodium nitrate, 15% PEG 3350, 15% glycerol, pH 6.6 SEC Buffer:25 mM Tris-HCl, 140 mM NaCl, 100 mM KCl, 3% glycerol, pH 8 cryoprotection: 20% glycerol in precipitant
Unit Cell:
a: 80.660 Å b: 90.040 Å c: 102.970 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 2.71 Solvent Content: 54.58
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 1.06 32.07 166617 2099 98.77 0.1425 0.1649 13.68
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
1.04 50 97.9 0.15 ? 13.72 12.48 ? 174843 ? ? 7.94
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 1.04 1.1 90.7 ? ? 2.13 ? ?
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 BESSY BEAMLINE 14.1 0.9184 BESSY 14.1
Software
Software Name Purpose Version
PHENIX refinement 1.21.1-5286
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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