X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M HEPES sodium pH7.5, 5% 2-propanol, 10% polyethylene glycol 4,000, 10% glycerol, 1mM DMAPP
Unit Cell:
a: 95.660 Å b: 95.731 Å c: 95.939 Å α: 88.760° β: 77.756° γ: 61.692°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.67 Solvent Content: 53.91
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 MOLECULAR REPLACEMENT THROUGHOUT 1.680 48.196 322254 16161 96.934 ? 0.2124 40.129
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
1.68 48.2 97.2 0.061 ? 24.1 9.6 ? 323199 ? ? ?
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 1.68 1.71 ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 95 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON PHOTON FACTORY BEAMLINE BL-5A 1.0 Photon Factory BL-5A
Software
Software Name Purpose Version
REFMAC refinement 5.8.0431
XDS data reduction .
Aimless data scaling .
MOLREP phasing .
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