X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.0 293 6% Peg 4000 50 mM sodium acetate pH 4.0 20% glycerol 75 mM NaCl 75 mM KCl 10 mM Tris-HCl pH 7.5 0.5 mM Cymal-6-NG (Anatrace)
Unit Cell:
a: 98.243 Å b: 243.878 Å c: 172.052 Å α: 90.00° β: 93.84° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 4.36 Solvent Content: 71.77
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 3.10 37.952 145754 7264 99.9 ? 0.2425 101.2
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
3.1 38 99.9 ? ? 9.7 9.5 ? 145877 ? -3 82
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 3.10 3.15 99.9 ? ? 1.2 9.7 ?
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-D 1.033 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement (1.10_2155: ???)
CNS refinement 1.3
HKL-3000 phasing .
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