X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.2 298 0.1 M Sodium Acetate, 0.2 M Sodium Citrate, 4% Glycerol, 25% PEG 3350, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 96.802 Å b: 36.309 Å c: 29.570 Å α: 90.00° β: 100.71° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 1.741 Solvent Content: 27
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 MAD THROUGHOUT 1.50 29.06 30081 1485 94.8 0.195 0.226 16.2
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
1.5 50 97.5 0.043 ? 35.07 4.4 31652 30861 2.0 4.0 13.6
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 1.5 1.55 80.7 ? ? 3.80 2.7 3202
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 19-BM 0.9795,0.9797,0.94656 APS 19-BM
Software
Software Name Purpose Version
SBC-Collect data collection .
HKL-2000 data reduction .
CNS refinement .
HKL-2000 data scaling .
CNS phasing .
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