X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 100mM Tris, 22.5% PEG 4000, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Unit Cell:
a: 79.623 Å b: 79.623 Å c: 51.207 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 62
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.50
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 1.80 15.00 17232 872 100.0 0.167 0.201 19.50
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
1.800 51.210 100.0 0.07500 0.07500 24.1000 12.500 ? 17292 ? ? 19.75
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 1.80 1.90 100.0 ? 0.34600 7.600 12.00 ?
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 SLS BEAMLINE X06DA ? SLS X06DA
Software
Software Name Purpose Version
REFMAC refinement 5.5.0102
PDB_EXTRACT data extraction 3.006
MOSFLM data reduction .
SCALA data scaling .
PHASER phasing .
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