X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 291 0.2 M AmmSO4, 0.1 M Bis-Tris, 25% PEG3350
Unit Cell:
a: 56.408 Å b: 61.445 Å c: 63.665 Å α: 100.87° β: 92.48° γ: 108.12°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.12 Solvent Content: 41.85
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 1.70 30.0 77255 4073 92.39 0.17054 0.20784 31.953
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
1.7 30.0 92.6 0.054 ? 35.4 3.8 81340 81340 ? ? ?
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 1.7 1.73 95.6 ? ? 2.06 3.8 ?
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 0.97889 APS 21-ID-D
Software
Software Name Purpose Version
BLU-MAX data collection .
HKL-3000 data collection .
HKL-3000 data scaling .
PHASER phasing .
REFMAC refinement 5.8.0124
Coot model building .
HKL-3000 data reduction .
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