X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 1.2 M tri-sodium citrate, 0.1 M sodium cacodylate, pH 5.5, 200 mM NDSB-211 (3-[(2-Hydroxyethyl)(dimethyl)ammonio]propane-1-sulfonate)
Unit Cell:
a: 71.166 Å b: 153.523 Å c: 71.216 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 2
Crystal Properties:
Matthew's Coefficient: 2.19 Solvent Content: 43.72
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 3.00 29.40 7327 356 89.64 0.2518 0.3005 31.30
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
3.0 29.9 91.1 0.364 ? 7.8 8.8 ? 7385 ? ? 19.80
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 3.0 3.18 100.0 ? ? 3.9 9.5 ?
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 DIAMOND BEAMLINE I24 0.6702 Diamond I24
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
Aimless data scaling .
MOLREP phasing .
Feedback Form
Name
Email
Institute
Feedback