X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 294 2 M ammonium sulphate, 0.2 M Sodium Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Unit Cell:
a: 54.196 Å b: 54.196 Å c: 299.342 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 2 2
Crystal Properties:
Matthew's Coefficient: 2.57 Solvent Content: 52.09
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 2.200 43.895 22251 1100 93.2 0.1755 0.2359 32.6
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 74.8 93.2 .068 .068 14.6 ? 22251 22251 0 0 32.6
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 2.32 76.1 ? 0.25 4.0 ? ?
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-B 0.97934 APS 23-ID-B
Software
Software Name Purpose Version
Blu-Ice data collection Ice
PHASER phasing .
PHENIX refinement (phenix.refine: 1.4_77)
MOSFLM data reduction .
SCALA data scaling .
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