X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 0.1 M MES, 1 M sodium citrate, 5 mM TCEP
Unit Cell:
a: 145.544 Å b: 145.544 Å c: 145.544 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 2 3
Crystal Properties:
Matthew's Coefficient: 3.44 Solvent Content: 64.28
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 2.46 72.77 17646 878 94.50 0.1990 0.2413 51.47
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
2.46 72.772 94.6 0.169 ? 9.9 8.1 ? 17657 ? ? 45.20
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 2.464 2.507 ? ? ? 1.5 ? ?
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 0.97934 NSLS-II 17-ID-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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