X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 303 0.8 M KCl, 0.15 M Mg Acetate, 8% (w/v) PEG 6000, pH 6.5, vapor diffusion, hanging drop, temperature 303K
Unit Cell:
a: 186.013 Å b: 63.026 Å c: 85.447 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 3.16 Solvent Content: 61.03
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 2.350 46.520 42200 1807 98.730 0.218 0.248 37.351
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
2.150 50.000 91.300 0.079 ? 20.968 6.100 ? 51141 ? ? ?
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 2.15 2.23 51.10 ? ? ? 1.80 2806
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 APS BEAMLINE 22-ID ? APS 22-ID
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
MOLREP phasing .
REFMAC refinement 5.2.0005
PDB_EXTRACT data extraction 3.005
HKL-2000 data collection .
HKL-2000 data reduction .
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