X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 0.1M tris pH 7.5, 23% PEG3350, 0.1M sodium chloride
Unit Cell:
a: 63.590 Å b: 84.750 Å c: 106.691 Å α: 108.82° β: 90.06° γ: 96.86°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.72 Solvent Content: 54.86
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 2.00 100.90 138885 6950 98.27 0.2462 0.2819 56.30
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
2.00 100.90 99.0 0.114 ? 12.4 4.6 ? 139875 ? ? 38.56
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 2.00 2.03 99.0 ? ? 1.5 4.7 ?
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 DIAMOND BEAMLINE I04-1 0.928190 Diamond I04-1
Software
Software Name Purpose Version
BUSTER refinement 2.10.2
XDS data reduction .
XDS data scaling .
PHASER phasing .
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