X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 277 ammonium sulfate, MgCl2, MES pH 5.6, PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Unit Cell:
a: 92.479 Å b: 92.479 Å c: 123.763 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41 2 2
Crystal Properties:
Matthew's Coefficient: 3.15 Solvent Content: 60.9
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 2.210 28.0 13571 677 98.400 0.195 0.236 33.889
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
2.21 28.0 ? ? ? ? ? ? 13800 2.0 2.0 ?
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 2.21 2.29 99.2 ? ? ? ? ?
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 BL12B2 0.9537, 0.9801, 0.9796 SPring-8 BL12B2
Software
Software Name Purpose Version
REFMAC refinement .
PDB_EXTRACT data extraction 1.700
HKL-2000 data reduction .
SCALEPACK data scaling .
SHARP phasing .
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