X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.2 293 10% PEG 8000, 0.1 M sodium/potassium phosphate, 0.15 M guanidinium hydrochloride, 0.2 M sodium chloride, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 168.570 Å b: 107.040 Å c: 51.090 Å α: 90.00° β: 97.10° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 3.07 Solvent Content: 59.94
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 with SAD THROUGHOUT 3.3 50.7 13601 674 99.8 0.195 0.247 131.01
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
3.3 50.7 99.8 ? 0.14 7.4 5.7 13603 13603 0 0 92.3
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 3.3 3.48 99.6 ? 0.84 2.1 5.9 1965
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 SLS BEAMLINE X06SA 1.2783 SLS X06SA
Software
Software Name Purpose Version
XDS data scaling .
PHASER phasing .
BUSTER refinement 2.9.2
XDS data reduction .
XSCALE data scaling .
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