X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 294 1.3 M Potassium/Sodium tartrate, 0.1 M HEPES pH 8.0
Unit Cell:
a: 87.480 Å b: 87.480 Å c: 387.379 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 4.92 Solvent Content: 75.00
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 3.93 49.14 9644 455 64.82 0.2363 0.2837 81.78
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
3.93 50 64.9 0.238 0.238 5.99 7.6 ? 9652 ? ? 42.31
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 3.93 4.20 26.0 ? 0.500 3.82 7.3 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 120 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-B 1.03318 APS 23-ID-B
Software
Software Name Purpose Version
XDS data reduction 20241002
STARANISO data scaling 3.351
PHASER phasing 2.8.3
PHENIX refinement dev_5533
Coot model building .
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