X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.2 294 25% 1,2-propanediol, 100 mM phosphate-citrate pH 4.2, 10% glycerol, 5% PEG 3000
Unit Cell:
a: 131.219 Å b: 155.459 Å c: 197.757 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 4.78 Solvent Content: 74.29
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 FREE R-VALUE 4.369 44.717 10921 547 81.11 0.3035 0.3437 ?
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
4.369 44.717 95.6 0.099 ? 14.3 5.5 ? 12420 ? ? ?
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 . ? ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 90 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-D 1.00000 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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