X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 27% polyethylene glycol 3350 (PEG 3350), .2 M Lithium Sulfate, and .1 M Bis-Tris Propane pH 7.0
Unit Cell:
a: 80.492 Å b: 112.863 Å c: 116.607 Å α: 84.002° β: 69.814° γ: 79.205°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.62 Solvent Content: 52.97
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 FREE R-VALUE 3.20 49.08 62028 3050 99.48 0.2224 0.2669 60.68
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
2.96 49.08 99.6 0.350 ? 2.6 3.5 ? 78477 ? ? 56.26
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 2.96 3.02 ? 99.6 ? ? 3.6 ?
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
SYNCHROTRON ALS BEAMLINE 4.2.2 1.0001 ALS 4.2.2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
Aimless data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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