X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 293 0.05M Sodium Acetate, 1.6M Sodium Chloride, 0.2M Arg, pH 4.5, VAPOR DIFFUSION, temperature 293K
Unit Cell:
a: 78.299 Å b: 78.299 Å c: 37.284 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 1.99 Solvent Content: 38.31
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 1.49 39.15 18454 996 99.98 0.17620 0.20459 13.270
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
1.49 50 99.8 0.034 ? ? 15.2 ? 18454 ? ? ?
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 1.49 1.54 97.7 ? ? 19.1 13.9 3548
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 BL32B2 1.000 SPring-8 BL32B2
Software
Software Name Purpose Version
HKL-2000 data collection .
MOLREP phasing .
REFMAC refinement 5.2.0019
HKL-2000 data reduction .
HKL-2000 data scaling .
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