X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.3 ? 50MM NACL, 9MM MGCL2, 0.25 MM SPERMINE, 0.25% N-OCTYL-BETA-D-GLUCOPYRANOSIDE, 50MM TRIS-CL PH 7.3, 1% PEG600
Unit Cell:
a: 98.370 Å b: 128.240 Å c: 66.650 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.69 Solvent Content: 42
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 SIR THROUGHOUT 2.38 15.0 32138 1647 95.8 ? 0.328 55
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
2.38 25.9 94.7 0.061 0.061 8.3 4.2 ? 32587 ? 6.0 59
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 2.38 2.51 95.0 ? 0.236 3.0 2.5 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ELETTRA BEAMLINE 5.2R ? ELETTRA 5.2R
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling .
SHARP phasing .
REFMAC refinement .
CCP4 data scaling (SCALA)
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