X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 277 25% PEG2000, 0.2 mM magnesium chloride, 100 mM sodium acetate, pH 4.6
Unit Cell:
a: 40.489 Å b: 55.465 Å c: 87.040 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 2 21
Crystal Properties:
Matthew's Coefficient: 2.54 Solvent Content: 51.49
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 1.50 46.78 31095 1999 96.18 ? 0.233 ?
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 46.78 98.41 ? ? 39.2 3.4 ? 39849 ? ? ?
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 1.73 1.76 ? ? ? 1.3 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON CHESS BEAMLINE 7B2 0.9686 CHESS 7B2
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
PDB_EXTRACT data extraction .
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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