X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 277 2-methyl-2,4-pentanediol, spermine tetrahydrochloride, sodium chloride, potassium chloride, sodium cacodylate , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 33.810 Å b: 43.470 Å c: 64.200 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 2.21 Solvent Content: 44.36
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 MAD ? 1.8 9.0 4227 436 92.0 ? 0.249 ?
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
1.8 32 98.1 0.05 0.05 7.7 6.2 4553 4543 0.0 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 1.8 1.89 88.6 ? 0.265 2.6 3.8 583
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 PHOTON FACTORY BEAMLINE BL-18B 1.0, 0.91961, 0.92020 Photon Factory BL-18B
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling .
SOLVE phasing .
CNS refinement 1.0
CCP4 data scaling (SCALA)
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