X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 295 100 mM HEPES (pH 7.5), 2.2 M ammonium sulfate, 0.95% 1,6-hexanediol, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Unit Cell:
a: 54.610 Å b: 74.980 Å c: 115.280 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.12 Solvent Content: 41.97
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 2.85 19.82 10516 554 100.00 0.22516 0.26377 55.859
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
2.750 20 96.100 0.099 ? 9.260 2.63 ? 11070 0 -3.000 ?
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 2.750 2.800 97.200 ? ? 1.400 2.60 ?
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-D 0.979300 APS 23-ID-D
Software
Software Name Purpose Version
XSCALE data scaling .
PHASER phasing .
REFMAC refinement 5.5.0109
PDB_EXTRACT data extraction 3.10
XDS data scaling .
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