X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.9 291 0.1M BIS-TRIS PROPANE/HCL (pH 6.9); 18% w/v PEG 3350; 7.5% v/v ETHYLENE GLYCOL; 0.2M NA2SO4
Unit Cell:
a: 95.535 Å b: 285.371 Å c: 179.213 Å α: 90.00° β: 91.78° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.36 Solvent Content: 63.38
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 2.501 49.185 325791 1983 99.02 0.1831 0.2298 ?
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
2.50 50.00 98.9 0.092 0.087 14.63 5.78 ? 325849 ? ? ?
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 2.50 2.57 95.1 ? 0.980 2.06 5.69 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SLS BEAMLINE X06SA 0.97935 SLS X06SA
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
Coot model building .
ARP/wARP model building .
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