X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.2 291.15 0.1 M Na2HPO4:citirc acid, pH 4.2, 0.2 M NaCl, 22% (w/v) PEG3350, 15% (w/v) GOL, 0.05 M L-Lys, 20 mg/mL TdOppA
Unit Cell:
a: 50.320 Å b: 108.300 Å c: 213.260 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.26 Solvent Content: 45.52
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 2.00 48.33 79804 3997 99.93 0.23959 0.26756 58.846
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
2.00 48.33 99.93 0.05334 ? 6.78 2.0 ? 159387 ? ? 43.08
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 2.00 2.072 99.97 ? ? ? 2.0 ?
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 CLSI BEAMLINE 08ID-1 0.9537 CLSI 08ID-1
Software
Software Name Purpose Version
MxDC data collection .
autoPROC data reduction .
SCALA data scaling .
REFMAC phasing .
PHENIX model building .
PHENIX refinement 1.20.1_4487
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