X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 277 3.5 M Sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 154.852 Å b: 154.852 Å c: 50.798 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 3.26 Solvent Content: 62.25
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 MIR THROUGHOUT 2.21 19.62 28259 2179 99.99 0.18957 0.23301 35.300
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
2.2 19.62 100 0.069 0.069 36 9.0 30883 30883 2.0 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 2.2 2.3 100 ? 0.344 6.3 7.9 ?
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 APS BEAMLINE 32-ID 0.9497 APS 32-ID
Software
Software Name Purpose Version
REFMAC refinement 5.2.0005
PDB_EXTRACT data extraction 1.701
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