X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 300 30% PEG 4000, 0.1M acetate buffer pH4.5, 0.2M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Unit Cell:
a: 69.967 Å b: 81.511 Å c: 80.800 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 1.7 Solvent Content: 27
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 3.00 19.64 4750 220 97.9 0.243 0.293 51.4
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
3.0 30.0 98 0.085 ? 14.5 ? 4939 4840 0.0 0.0 51.4
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 3.0 3.11 92.4 ? ? 3.31 ? 476
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
ROTATING ANODE RIGAKU 1.5418 ? ?
Software
Software Name Purpose Version
CNS refinement 1.1
HKL-2000 data collection .
DENZO data reduction .
SCALEPACK data scaling .
PHASER phasing .
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