X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 293 PEG 8000, ethylene glycol, sodium acetate
Unit Cell:
a: 45.955 Å b: 137.370 Å c: 80.206 Å α: 90.000° β: 102.699° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.19 Solvent Content: 61.43
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 1.90 21.99 75282 2017 98.86 0.1577 0.1943 13.81
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
1.90 21.99 98.8 0.082 ? 16.6 3.3 ? 75309 ? ? 10.85
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 1.90 1.97 ? ? ? 2.38 ? ?
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
SEALED TUBE RIGAKU MICROMAX-003 1.5418 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.19.2_4158
CrysalisPro data reduction 41.119a
CrysalisPro data scaling 41.119a
MOLREP phasing 1.19.2_4158
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