X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293.15 200 mM NaI, 25% PEG 3350 and 100 mM BisTris Methane pH 8.5
Unit Cell:
a: 67.851 Å b: 54.622 Å c: 103.032 Å α: 90.000° β: 108.818° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.34 Solvent Content: 63.18
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 SAD FREE R-VALUE 2.69 64.22 19726 912 97.91 0.2350 0.2645 79.79
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
2.69 97.53 97.90 0.1401 ? 6.61 3.3 ? 20115 ? ? 62.46
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 2.691 2.787 96.71 ? ? ? 3.1 ?
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 2.0330 ALBA XALOC
Software
Software Name Purpose Version
PHENIX refinement 1.13_2998
AutoSol phasing 1.13_2998
XDS data reduction .
Aimless data scaling .
autoPROC data scaling .
PHENIX model building 1.13_2998
Coot model building 0.8.9.1
Feedback Form
Name
Email
Institute
Feedback