X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293.15 0.2M sodium potassium tartrate, 20%(w/v) PEG3350, 3%(v/v) PEG400, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Unit Cell:
a: 60.179 Å b: 68.659 Å c: 75.252 Å α: 90.00° β: 95.75° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.10 Solvent Content: 41.50
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 MAD THROUGHOUT 2.40 45.13 11855 1188 98.6 0.22 0.296 45.2
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
2.4 50 98.6 ? 0.044 43.7 3.5 11855 11855 0 0 34.2
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 2.4 2.48 99.3 ? 0.084 18.8 3.4 1174
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 SPRING-8 BEAMLINE BL41XU 1 SPring-8 BL41XU
Software
Software Name Purpose Version
CNS refinement 1.2
DENZO data reduction .
SCALEPACK data scaling .
SHARP phasing .
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