X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 293 100mM Bis-Tris, pH 6.0, 26% [w/v] polyethylene glycol 3350, 0.1M Ammonium Sulfate, VAPOR DIFFUSION, temperature 293K
Unit Cell:
a: 40.497 Å b: 47.479 Å c: 64.512 Å α: 91.18° β: 97.29° γ: 96.81°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.91 Solvent Content: 35.57
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 2.675 28.036 11549 566 86.52 0.2413 0.2882 44.1
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
2.675 28.036 95.0 0.073 ? 8.60 1.9 12651 11549 0 0 32.54
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 2.67 2.72 93.0 ? ? 2.54 1.9 611
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 1.54178 ? ?
Software
Software Name Purpose Version
CrystalClear data collection .
PHASER phasing .
PHENIX refinement (phenix.refine)
HKL-2000 data reduction .
HKL-2000 data scaling .
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