X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.80 ? PROTEIN: 18.0MG/ML Y53F IN 5MM HEPES PH7.5, 25MM LICL, 0.0025%(V/V) BETA-MERCAPTOETHANOL RESERVOIR: 0.1M MES PH5.8, 50MM LICL, 18%(V/V) PEG 400 CRYO: 0.1M MES PH6.0, 25%(V/V) PEG 400,50MM LICL, pH 5.80
Unit Cell:
a: 109.444 Å b: 51.719 Å c: 100.655 Å α: 90.00° β: 112.70° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.5 Solvent Content: 50.9
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 THROUGHOUT 2.28 20.24 22333 1216 100.0 0.222 0.281 29.70
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
2.280 20.000 97.6 0.04000 ? 10.9400 1.770 ? 22333 ? 3.000 ?
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 2.28 2.37 88.2 ? 3.260 3.00
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON BESSY BEAMLINE 14.2 ? BESSY 14.2
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
DENZO data reduction .
SCALEPACK data scaling .
EPMR phasing .
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