X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 0.1 M Sodium chloride, 25 % v/v Glycerol, 0.05 M Bis-Tris pH 7, 1.8 M Ammonium sulfate
Unit Cell:
a: 96.063 Å b: 96.063 Å c: 183.858 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 4 2 2
Crystal Properties:
Matthew's Coefficient: 2.76 Solvent Content: 55.37
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 THROUGHOUT 2.01 34.34 26734 1425 97.37 0.21234 0.24216 44.726
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
2.00 34.34 97.9 0.256 ? 10.0 26.7 ? 28872 ? ? ?
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 2.00 2.05 100.0 ? ? 0.9 28.0 ?
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 NSLS-II BEAMLINE 17-ID-2 0.979098 NSLS-II 17-ID-2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
XDS data reduction 20230630
Aimless data scaling 0.7.15
PHASER phasing 2.8.3
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