X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 295 Crystallization condition: 25% PEG 3350, 0.2M Na Chloride, 0.1M Bis-Tris pH 5.6. Freezing condition: 25% PEG 3350, 0.2M Na Chloride, 0.1M Bis-Tris 7% Glyserol,7% EG, 7% Sucrose. Protein: 3.4 mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 27.470 Å b: 34.708 Å c: 61.928 Å α: 81.33° β: 79.45° γ: 70.07°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.96 Solvent Content: 37.08
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 SAD THROUGHOUT 1.40 29.84 33587 1745 85.32 0.14932 0.18693 14.227
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
1.4 30.0 95.6 0.068 ? 20.22 5.0 39510 39510 ? -3.0 14.4
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 1.40 1.42 92.4 ? ? 3.8 3.5 1892
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 21-ID-D 1.03316 APS 21-ID-D
Software
Software Name Purpose Version
Blu-Ice data collection Max
HKL-3000 phasing .
REFMAC refinement 5.5.0102
HKL-3000 data reduction .
HKL-3000 data scaling .
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