X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 298 Saturated MgATP and PLP, 50-60% MPD precipitant, pH 8.0, hanging drop, temperature 298K
Unit Cell:
a: 91.202 Å b: 114.585 Å c: 169.414 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.15 Solvent Content: 60.93
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 isomorphous refinement THROUGHOUT 2.100 26.980 51485 2606 98.900 ? 0.256 44.453
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
2.000 26.980 98.900 0.049 ? 13.300 3.100 ? 59477 ? ? ?
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 2.00 2.07 99.00 ? ? 3.4 2.81 5891
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 RIGAKU MICROMAX-007 1.54 ? ?
Software
Software Name Purpose Version
d*TREK data scaling 9.2SSI
CNS refinement 1.0
PDB_EXTRACT data extraction 3.005
CrystalClear data collection .
d*TREK data reduction .
Feedback Form
Name
Email
Institute
Feedback