X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 277 60%MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 46.300 Å b: 60.470 Å c: 144.290 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.20 Solvent Content: 44.16
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 FOURIER SYNTHESIS THROUGHOUT 1.585 46.344 55644 2822 99.41 0.1478 0.2022 ?
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
1.58 46.34 99.4 0.08 0.08 13.3 7.16 55647 55647 0.0 0.0 20.2
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 1.58 1.68 97.2 ? 0.816 1.97 7.08 8671
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 SOLEIL BEAMLINE PROXIMA 1 0.979180 SOLEIL PROXIMA 1
Software
Software Name Purpose Version
PHENIX model building (phenix.refine: 1.8.4_1496)
PHENIX refinement (phenix.refine: 1.8.4_1496)
XDS data reduction .
XDS data scaling .
PHENIX phasing 1.8.4_1496
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