X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.7 298 11% PEG4000, 0.2M NaCl, 25 uM CuCl2, 0.1M Bis-Tris Propane
Unit Cell:
a: 86.202 Å b: 86.202 Å c: 106.625 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.91 Solvent Content: 57.79
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 1.5610 29.300 57591 2928 99.9000 0.1373 0.1657 32.1900
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
1.560 29.300 99.900 0.081 ? 16.700 7.600 ? 57676 ? ? 24.260
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 1.560 1.590 98.700 ? ? 2.800 7.400 2780
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 108 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-D 1.03 APS 23-ID-D
Software
Software Name Purpose Version
Aimless data scaling 0.3.11
PHASER phasing 2.5.1
PHENIX refinement .
PDB_EXTRACT data extraction 3.15
XDS data reduction .
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