X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 289 50 mM Tris/HCl pH 7.4, 5 mM EDTA, 200 mM potassium formate, 20% PEG 3350
Unit Cell:
a: 38.250 Å b: 57.720 Å c: 65.605 Å α: 89.00° β: 89.65° γ: 89.22°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.18 Solvent Content: 43.51
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 2.00 42.96 33888 1814 89.44 0.1797 0.2258 ?
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
1.98 50.00 92.0 0.105 ? 6.7 7.3 ? 35704 ? ? ?
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 1.98 2.01 91.8 ? ? ? 5.6 ?
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 APS BEAMLINE 19-ID 0.9795 APS 19-ID
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
HKL-3000 data scaling .
DENZO data reduction .
PDB_EXTRACT data extraction .
MOLREP phasing .
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