X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5 295 0.4 M ammonium sulfate, 12% PEG 3350, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 78.391 Å b: 38.851 Å c: 56.806 Å α: 90.00° β: 98.95° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.25 Solvent Content: 45.40
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 ? 1.992 19.425 10977 549 93.35 0.1724 0.2155 ?
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
1.992 20.0 93.2 0.09 ? ? 4.9 11316 10978 1.0 1.0 ?
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 2.00 2.11 84.7 ? ? 2.87 4.8 1578
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
ROTATING ANODE RIGAKU 1.5418 ? ?
Software
Software Name Purpose Version
CrystalClear data collection .
PHENIX model building (phenix.automr)
PHENIX refinement (phenix.refine: 1.9_1692)
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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