X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 ? 0.1 M TRIS/HCL PH 8.0, 0.2 SODIUM CITRATE, 40% V/V MPD, PROTEIN CONCENTRATION 5MG/ML IN 20 MM HCL
Unit Cell:
a: 78.660 Å b: 78.660 Å c: 78.660 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 21 3
Crystal Properties:
Matthew's Coefficient: 3.7 Solvent Content: 67
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 1.50 39.33 12441 640 99.98 0.16830 0.19713 26.337
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
1.50 39.33 100.0 0.05 ? 31.80 20 ? 13097 ? 2.0 29.7
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 1.50 1.54 100.0 ? 5.00 20
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 DIAMOND BEAMLINE I04 ? Diamond I04
Software
Software Name Purpose Version
REFMAC refinement 5.8.0049
XDS data reduction .
SCALA data scaling .
MOLREP phasing .
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