X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 277.0 Tris, PEG 1500, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
Unit Cell:
a: 48.140 Å b: 48.140 Å c: 135.230 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 2 2
Crystal Properties:
Matthew's Coefficient: 2.80 Solvent Content: 56.13
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 ? 2.5 20.0 5827 565 97.4 0.22 0.296 ?
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
2.5 20.0 98.9 0.068 0.064 11.5 8.0 5917 5917 0.0 0.0 37.7
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 2.5 2.64 98.9 ? 0.252 3.0 9.0 832
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RU200 1.5418 ? ?
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling .
AMoRE phasing .
TNT refinement .
CCP4 data scaling (SCALA)
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