X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 0.6mM oligonucleotides, 0.6mM QA5, 50mM 2-(N-morpholino)ethanesulfonic acid hydrate (pH 6.5), 200mM potassium chloride, 5mM hexammine cobalt(III) chloride, 15% (v/v) 2-methyl-2,4-pentanediol
Unit Cell:
a: 23.835 Å b: 34.948 Å c: 47.901 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.06 Solvent Content: 40.16
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 NONE 1.27 23.95 10803 1081 97.57 0.2141 0.2297 ?
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
1.27 30.00 97.5 0.059 ? 13.5 5.9 ? 10857 ? ? ?
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 1.27 1.32 96.8 ? ? ? 6.4 ?
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 NSRRC BEAMLINE TPS 07A 0.97626 NSRRC TPS 07A
Software
Software Name Purpose Version
PHENIX refinement (1.18.2_3874: ???)
HKL-2000 data scaling .
HKL-2000 data reduction .
PHENIX phasing (1.20.1_4487)
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