X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.3 285 PEG 3350, Mg(NO3)2, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 285K
Unit Cell:
a: 39.737 Å b: 121.617 Å c: 80.836 Å α: 90.000° β: 95.540° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.29 Solvent Content: 46.18
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 FOURIER SYNTHESIS ? 2.0000 14.96 88772 8303 87.2000 0.201 0.2304 21.4820
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
2.000 35.000 94.200 0.133 ? 6.700 8.000 ? 96852 ? ? 21.4
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 2.000 2.070 73.300 ? ? ? 2.800 3775
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 23-ID-B 1.0332 APS 23-ID-B
Software
Software Name Purpose Version
SCALEPACK data scaling .
CNS refinement 1.2
PDB_EXTRACT data extraction 3.10
DENZO data reduction .
CNS phasing .
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