X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Unit Cell:
a: 58.555 Å b: 46.066 Å c: 62.803 Å α: 90.000° β: 112.220° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.92 Solvent Content: 36.02
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 1.6300 23.5600 38891 1974 99.9500 0.1747 0.2098 20.2300
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
1.630 36.110 99.900 0.089 ? 16.880 10.930 ? 38919 ? ? 17.080
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 1.630 1.650 98.700 ? ? 1.5 4.660 ?
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
ROTATING ANODE BRUKER AXS MICROSTAR 1.54 ? ?
Software
Software Name Purpose Version
BUSTER refinement 2.10.1
PDB_EXTRACT data extraction 3.23
XPREP data reduction .
PHASER phasing .
XDS data scaling .
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