X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 100 mM MIB buffer pH 5.0 and 25% PEG1500
Unit Cell:
a: 28.845 Å b: 43.451 Å c: 61.482 Å α: 90.37° β: 101.01° γ: 105.25°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.14 Solvent Content: 42.58
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 1.650 41.847 32519 1390 95.69 0.1398 0.1613 ?
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
1.65 50 95.7 0.021 ? 18.2 1.8 ? 32525 -3 ? ?
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 1.65 1.74 93.2 ? ? 6.9 1.8 ?
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 NSLS BEAMLINE X25 1.1000 NSLS X25
Software
Software Name Purpose Version
PHENIX refinement (1.10.1_2155: ???)
XDS data reduction .
XSCALE data scaling .
PHENIX phasing .
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