X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 288 0.2M Ammonium acetate, 0.1M Sodium acetate trihydrate pH4.6, 30% PEG 4000
Unit Cell:
a: 33.381 Å b: 68.525 Å c: 46.449 Å α: 90.00° β: 110.07° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.87 Solvent Content: 34.22
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 FREE R-VALUE 1.30 36.80 47724 4737 99.74 0.1806 0.1968 ?
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
1.3 36.80 99.8 0.04 ? 46.34 10 ? 48179 ? ? ?
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 1.3 1.346 ? ? ? ? ? ?
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 ELETTRA BEAMLINE 11.2C 0.978500 ELETTRA 11.2C
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
Aimless data scaling .
iMOSFLM data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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