X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 294 20% PEG 6000, 0.1M Bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Unit Cell:
a: 75.468 Å b: 78.647 Å c: 34.891 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.50 Solvent Content: 50.71
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 2.200 20.410 10517 544 95.000 ? 0.232 30.293
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
2.200 40.000 98.700 0.101 ? 12.300 4.300 ? 10994 ? ? ?
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 2.20 2.28 91.90 ? ? ? 2.60 986
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 FR-E+ SUPERBRIGHT 1.5418 ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
CNS refinement .
PDB_EXTRACT data extraction 3.100
StructureStudio data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
MOLREP phasing .
Feedback Form
Name
Email
Institute
Feedback