X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.50 294.0 0.05 M MAGNESIUM CHLORIDE, 0.2 M NaCl, 0.1 M TRIS-HCL, 20% PEG 400, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K
Unit Cell:
a: 67.75 Å b: 67.75 Å c: 90.08 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.88
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 2.50 15 7000 385 84.9 0.211 0.268 ?
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
2.5 15 89.7 0.052 0.052 11.8 4.1 8265 7410 0 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 2.50 2.62 63.6 ? 0.309 2.1 3.5 675
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE ENRAF-NONIUS 1.5418 ? ?
Software
Software Name Purpose Version
SAINTPLUS data collection .
LSCALE data reduction .
AMoRE phasing .
CNS refinement 1.0
SAINT data reduction PLUS
LSCALE data scaling .
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