X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 290 BaCl2, MPD, NaCacodylate , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Unit Cell:
a: 65.2430 Å b: 24.2410 Å c: 37.2810 Å α: 90.00° β: 110.1700° γ: 90.0000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.27 Solvent Content: 45.83
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 2.600 15.615 1757 74 98.600 0.241 0.347 21.444
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
2.601 15.615 98.600 0.058 ? ? 2.8 1772 1757 1.00 1.00 21.448
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 2.601 2.668 98.600 ? ? 2.18 2.4 6667
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
SEALED TUBE OXFORD DIFFRACTION ENHANCE ULTRA 1.5418 ? ?
Software
Software Name Purpose Version
REFMAC refinement .
PDB_EXTRACT data extraction 1.401
CrysalisPro data collection Red
CrysalisPro data reduction Red
CrysalisPro data scaling Red
MOLREP phasing .
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