X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 292 25% PEG 3350, 0.2 M NaCl and 0.1 M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Unit Cell:
a: 121.300 Å b: 121.300 Å c: 95.900 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.10 Solvent Content: 41.46
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 2.00 46.08 51331 2763 99.92 0.205 0.235 41.003
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
2.0 46.1 99.9 0.118 ? 35.4 12.4 54142 54142 0.0 0.0 34.7
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 2.03 99.3 ? ? 2.1 6.2 2694
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 APS BEAMLINE 22-ID 1.0 APS 22-ID
Software
Software Name Purpose Version
SERGUI data collection .
REFMAC refinement .
HKL-2000 data reduction .
HKL-2000 data scaling .
REFMAC phasing .
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