X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 0.1 M Bis-Tris propane pH 7.0, 3 M sodium acetate
Unit Cell:
a: 128.473 Å b: 128.473 Å c: 128.473 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 21 3
Crystal Properties:
Matthew's Coefficient: 3.29 Solvent Content: 62.59
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 1.50 23.47 53364 2966 99.93 0.10261 0.13704 18.617
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 25.00 100.0 0.083 ? 9.7 9.3 ? 56330 ? ? ?
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 1.55 100.0 ? ? ? 9.4 ?
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 NSRRC BEAMLINE TPS 05A 0.9998 NSRRC TPS 05A
Software
Software Name Purpose Version
REFMAC refinement 5.8.0238
HKL-2000 data scaling .
PDB_EXTRACT data extraction .
HKL-2000 data reduction .
PHASER phasing .
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