X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.7 293 1.6 M ammonium sulfate, 0.1 M bicine, pH8.7
Unit Cell:
a: 78.444 Å b: 78.444 Å c: 340.854 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65
Crystal Properties:
Matthew's Coefficient: 3.06 Solvent Content: 59.74
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 FREE R-VALUE 2.76 58.3 29909 1476 98.4600 0.2236 0.2563 64.8227
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
2.76 58.31 100 0.28 ? 5.4 11.8 ? 30474 ? ? 59.140
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 2.76 2.81 100 ? ? ? 11.8 ?
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 23-ID-B 1.0332 APS 23-ID-B
Software
Software Name Purpose Version
xia2 data scaling .
PHENIX refinement 1.12_2829
PDB_EXTRACT data extraction 3.24
PHASER phasing .
xia2 data reduction .
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