X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.8 293 0.2M KBr, 0.2M K-thiocyanate, 0.1M Tris-HCl, 3% (w/v) gamma-PGA (Na+ form, LM), 5% (w/v) PEG 3350
Unit Cell:
a: 64.120 Å b: 61.910 Å c: 209.650 Å α: 90.00° β: 90.03° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.29 Solvent Content: 46.21
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 3.70 47.26 17902 896 99.58 0.2684 0.2998 ?
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
3.7 50 99.8 ? ? 9.92 6.7 ? 17946 ? ? ?
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 3.7 3.8 99.4 ? ? 2.5 6.6 ?
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 PHOTON FACTORY BEAMLINE BL-17A 0.980000 Photon Factory BL-17A
Software
Software Name Purpose Version
PHENIX refinement (1.21.1_5286: ???)
PDB_EXTRACT data extraction .
XDS data reduction .
XSCALE data scaling .
MOLREP phasing .
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