X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 0.1M AMINO ACIDS, 0.1M BUFFER SYSTEM1 PH6.5, 18% EG, 12% PEG8000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K
Unit Cell:
a: 59.305 Å b: 76.077 Å c: 88.281 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.95
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 2.42 41.33 15565 777 98.56 0.2118 0.2461 ?
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
2.420 50.000 99.6 ? ? 10.5000 13.60 ? 15858 ? ? ?
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 2.42 2.51 96.8 ? ? 1.200 12.50 ?
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 SSRF BEAMLINE BL10U2 0.97919 SSRF BL10U2
Software
Software Name Purpose Version
PHENIX refinement (1.21_5207: ???)
XDS data reduction .
XDS data scaling .
PHASER phasing .
HKL-2000 data reduction .
PDB_EXTRACT data extraction .
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