X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Lithium sulfate, ethyleneglycol, Tris-HCl, PEG-MME 5000
Unit Cell:
a: 72.731 Å b: 50.057 Å c: 88.694 Å α: 90.000° β: 111.709° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.36 Solvent Content: 47.95
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 1.90 41.20 22815 1090 96.80 0.1762 0.2383 36.32
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
1.9 41.2 96.79 0.05504 ? 7.52 1.9 ? 22836 ? ? 28.93
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 1.9 1.968 ? ? ? 1.45 ? ?
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 ALBA BEAMLINE XALOC 0.9793 ALBA XALOC
Software
Software Name Purpose Version
REFMAC refinement 1.15.2_3472
PHENIX refinement 1.15.2_3472
XDS data reduction .
Aimless data scaling .
PHENIX phasing .
Feedback Form
Name
Email
Institute
Feedback