X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 NANODROP, 0.04M Potassium dihydrogen phosphate, 20.0% Glycerol, 16.0% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 127.790 Å b: 127.790 Å c: 100.620 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41 21 2
Crystal Properties:
Matthew's Coefficient: 2.98 Solvent Content: 58.72
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 MAD THROUGHOUT 2.000 29.696 56541 2870 99.750 0.163 0.194 31.260
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 29.696 99.700 0.062 ? 12.890 7.29 ? 56593 ? ? 32.83
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 2.07 99.30 ? ? 2.560 ? 9589
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 SSRL BEAMLINE BL11-1 0.91837, 0.97920 SSRL BL11-1
Software
Software Name Purpose Version
MolProbity model building 3beta29
SHELX phasing .
REFMAC refinement 5.2.0005
XSCALE data scaling .
PDB_EXTRACT data extraction 2.000
MAR345 data collection CCD
XDS data reduction .
SHELXD phasing .
autoSHARP phasing .
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