X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 291 0.05 M BIS-TRIS, 12.5% w/v Polyethylene glycol 3,350, 5 mg/ml protein, 1 mM Nicotinic acid N-glucoside
Unit Cell:
a: 44.697 Å b: 45.076 Å c: 46.471 Å α: 110.028° β: 94.801° γ: 112.579°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.27 Solvent Content: 45.85
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 1.500 38.015 39295 1935 80.509 ? 0.2425 34.361
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
1.50 38.02 80.5 ? ? 4.0 1.8 ? 39296 ? ? ?
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 1.50 1.53 ? ? ? ? ? ?
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 ESRF BEAMLINE ID23-2 0.87313 ESRF ID23-2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
Coot model building .
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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