X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.2 291.15 protein solution: 64 mM TRIS pH 7.6, 20 mM magnesium chloride, 10 mM DTT, 0,1 mM sodium azide; reservoir solution: 100 mM HEPES pH 7.2, 200 mM magnesium acetate, 16% PEG 8000 (freshly prepared) mixture of equal volumes of protein and reservoir solution, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K
Unit Cell:
a: 69.300 Å b: 69.300 Å c: 35.510 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 2.27 Solvent Content: 45.76
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 1.050 69.340 78796 3909 99.930 0.157 0.181 6.210
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
1.00 69.340 99.9 0.052 0.052 13.820 5.9 536019 78838 -3 -3 14.0
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 1.00 1.05 99.9 ? 0.679 2.430 4.0 12300
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 ESRF BEAMLINE ID14-4 0.939 ESRF ID14-4
Software
Software Name Purpose Version
XSCALE data scaling .
REFMAC refinement .
PDB_EXTRACT data extraction 1.701
ProDC data collection .
MOLREP phasing .
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