X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.4 293 15-20% PEG1000, 50 mM Mes 6.4, 100 mM KCl
Unit Cell:
a: 93.810 Å b: 93.810 Å c: 48.980 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 42
Crystal Properties:
Matthew's Coefficient: 2.56 Solvent Content: 52.04
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 FREE R-VALUE 3.00 66.33 8746 415 99.98 0.2095 0.2497 ?
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
2.907 66.334 100 ? ? 13.7 12.3 ? 9598 ? ? ?
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 2.907 2.958 ? ? ? 2.1 ? ?
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 ELETTRA BEAMLINE 11.2C 1.00 ELETTRA 11.2C
Software
Software Name Purpose Version
PHENIX refinement (1.19.2_4158: ???)
XSCALE data scaling .
XDS data reduction .
PHASER phasing .
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