X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 0.2 M sodium iodide, 0.1 M Bis-Tris propane pH 8.5, 20% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 68.131 Å b: 68.131 Å c: 109.143 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41 21 2
Crystal Properties:
Matthew's Coefficient: 2.22 Solvent Content: 44.55
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 ? 1.9 44.073 20914 1046 99.670 0.169 0.204 21.301
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
1.900 44.5 99.700 0.099 ? 15.620 ? ? 20918 ? 2.0 24.533
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 1.90 2.01 98.90 ? ? 3.9 ? ?
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 ID23-2 0.872 ESRF ID23-2
Software
Software Name Purpose Version
XSCALE data scaling .
PHASER phasing 2.2.0
PHENIX refinement 1.5_2
PDB_EXTRACT data extraction 3.005
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