X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291 1:2-3 ratio of protein to peptide with AvrB at ~12 mg/ml mixed with an equal volume of well solution (100 mM Tris, pH 7.5, 20-30% PEG 550 MME), VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 45.884 Å b: 58.166 Å c: 119.767 Å α: 90.00° β: 89.92° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.98 Solvent Content: 38.02
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 2.30 19.96 26385 1273 93.2 0.21 0.26 32.1
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 99 88.8 0.109 ? 11 ? 29016 29016 1 1 36.2
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 2.28 72.7 ? ? 2.6 ? ?
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 RU200 1.5418 ? ?
Software
Software Name Purpose Version
CNS refinement 1.1
CrystalClear data collection .
HKL-3000 data reduction .
HKL-3000 data scaling .
AMoRE phasing .
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