X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.8 293 29% PEG 400, 0.1M HEPES pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 60.978 Å b: 82.779 Å c: 95.505 Å α: 115.67° β: 108.50° γ: 90.06°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.28 Solvent Content: 46.12
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 2.80 45.06 35702 1907 96.90 0.24150 0.29829 68.980
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
2.800 50.000 97.200 0.066 ? 11.200 ? 45132 45132 0 0 ?
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 2.800 2.900 96.900 ? ? ? ? ?
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 23-ID-D 1.03000 APS 23-ID-D
Software
Software Name Purpose Version
SCALEPACK data scaling .
REFMAC refinement 5.8.0049
PDB_EXTRACT data extraction 3.14
MARmosaic data collection 300 mm CCD
MOSFLM data reduction .
PHASER phasing .
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