X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 294 25% PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Unit Cell:
a: 140.913 Å b: 64.371 Å c: 103.876 Å α: 90.00° β: 112.27° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.82
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 FOURIER SYNTHESIS THROUGHOUT 1.83 37.87 74509 3784 97.8 0.198 0.225 19.0
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
1.83 50 99.5 0.041 ? 27.9 6.9 75466 75466 0 0 14.2
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 1.83 1.90 97.4 ? ? 26 5.7 7337
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 NSLS BEAMLINE X12C 1.10000 NSLS X12C
Software
Software Name Purpose Version
CNS refinement 1.1
CBASS data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
CNS phasing .
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