X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 294 0.1 M Tris, pH 8.5, 2 M ammonium phosphate
Unit Cell:
a: 96.949 Å b: 96.949 Å c: 185.748 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41 2 2
Crystal Properties:
Matthew's Coefficient: 2.55 Solvent Content: 51.81
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 2.59 40.00 13295 674 98.82 0.26179 0.28738 98.744
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
2.59 50.00 98.9 0.071 ? 47 13.6 ? 13984 ? 2.0 ?
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 2.59 2.63 ? ? ? ? ? ?
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
REFMAC refinement 5.8.0267
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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