X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 277.15 0.1 M sodium citrate tribasic dihydrate pH 5.6, 20% w/v PEG 4000, 20% v/v 2-propanol
Unit Cell:
a: 44.419 Å b: 44.419 Å c: 107.754 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.14 Solvent Content: 42.65
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 1.70 38.47 25408 1223 97.42 0.1767 0.2038 26.24
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
1.70 38.47 97.43 0.08966 ? 12.36 4.8 ? 50704 ? ? 26.24
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 1.7 1.77 80.65 ? ? 3.03 3.6 ?
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 APS BEAMLINE 23-ID-B 1.033 APS 23-ID-B
Software
Software Name Purpose Version
PHENIX refinement 1.14_3260
XDS data reduction .
Aimless data scaling .
PHENIX phasing 1.14_3260
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