X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 293.15 100 mM HEPES pH 7.0, 0.5% v/v Jeffamine ED-2001, and 1.1 M sodium malonate
Unit Cell:
a: 106.748 Å b: 106.748 Å c: 44.95 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 2.21917367 Solvent Content: 44.60
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 2.200 21.848 15059 770 99.861 ? 0.2532 12.231
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
2.2 27.59 99.9 ? ? 18.2 8.063 ? 15070 ? ? ?
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 2.2 2.27 ? ? ? 8.9 ? ?
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
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.54184 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
CrysalisPro data reduction .
CrysalisPro data scaling .
MOLREP phasing .
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