X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.6 293.15 8% polyethylene glycol (PEG) 4000, 0.1M Na-acetate(pH4.6), pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Unit Cell:
a: 118.926 Å b: 141.353 Å c: 75.970 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.47 Solvent Content: 50.29
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 SAD THROUGHOUT 1.90 30.38 93180 4899 97.02 0.21169 0.25402 28.961
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
1.9 50.0 97.5 ? 0.082 24.7 6.3 101012 98486 ? -3 23.3
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 1.90 1.93 99.9 ? 0.507 3.2 6.2 4930
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 PHOTON FACTORY BEAMLINE BL-1A 1.0000 Photon Factory BL-1A
Software
Software Name Purpose Version
HKL-2000 data collection .
SOLVE phasing .
REFMAC refinement 5.7.0029
HKL-2000 data reduction .
HKL-2000 data scaling .
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