X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 298 25% (w/v) PEG 1500, Spermidine additive, pH 7, vapour diffusion, hanging drop, temperature 298K
Unit Cell:
a: 58.949 Å b: 58.949 Å c: 53.026 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.52 Solvent Content: 51.22
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 2.4100 50.000 7983 787 99.6300 0.2373 0.2666 45.967
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
2.410 50.010 99.600 0.137 ? 5.600 11.100 ? 7999 ? ? ?
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 2.410 2.500 96.000 ? ? ? 8.900 784
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
ROTATING ANODE BRUKER AXS MICROSTAR 1.5418 ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
MOLREP phasing .
REFMAC refinement .
PDB_EXTRACT data extraction 3.10
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
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