X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.2 293 50% PEG200, 0.1M sodium/potassium-phosphate, 0.1M sodium chloride, pH 6.2, VAPOR DIFFUSION, temperature 293K
Unit Cell:
a: 32.678 Å b: 32.678 Å c: 199.242 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41 21 2
Crystal Properties:
Matthew's Coefficient: 1.97 Solvent Content: 37.47
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 1.630 20.000 14289 719 98.690 0.203 0.250 19.765
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
1.63 50.0 98.9 ? 0.037 43.7 7.3 ? 14298 ? -3.0 18.8
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 1.63 1.69 99.8 ? 0.143 8.9 6.4 ?
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 SPRING-8 BEAMLINE BL45XU 0.9795,0.9797,0.9787 SPring-8 BL45XU
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
PDB_EXTRACT data extraction 3.006
HKL-2000 data reduction .
HKL-2000 data scaling .
SOLVE phasing .
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