X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 294 100mM Bis-Tris pH 5.0, 23% PEG 3350, 200mM ammonium sulfate, vapor diffusion, temperature 294K
Unit Cell:
a: 84.584 Å b: 71.731 Å c: 132.885 Å α: 90.000° β: 91.360° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 46.91
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 2.000 20.000 106672 5416 99.140 0.229 0.283 33.189
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
2.000 42.563 99.100 0.077 0.077 12.8 5.500 107766 106796 0 0 26.4
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 2.00 2.11 97.80 ? 0.302 4.5 5.40 15347
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 APS BEAMLINE 31-ID 0.97958 APS 31-ID
Software
Software Name Purpose Version
SCALA data scaling 3.2.25
REFMAC refinement .
PDB_EXTRACT data extraction 3.006
MAR345 data collection CCD
MOSFLM data reduction .
SHELXCD phasing .
SHELXE model building .
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