X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 50 mM citrate buffer (pH 5.2 - 5.8), 20-25% PEG 4000, 20-25% glycerol
Unit Cell:
a: 79.344 Å b: 79.344 Å c: 37.810 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 40
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 SAD FREE R-VALUE 1.70 56.10 22855 1121 90.74 0.1409 0.1621 20.12
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 56.10 90.74 0.1022 ? 35.63 35.7 ? 22855 ? ? 17.21
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 1.70 1.77 30.45 ? ? 6.70 5.9 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 295 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 24-ID-C 1.892 APS 24-ID-C
Software
Software Name Purpose Version
DIALS data reduction 3.1.4
Aimless data scaling 0.7.4
AutoSol phasing 1.18.2_3874
PHENIX model building 1.18.2_3874
PHENIX refinement 1.18.2_3874
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