X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 25% PEG 3350, 0.1M MES, PH 6.2-6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 55.34 Å b: 57.88 Å c: 91.63 Å α: 102.8° β: 105.9° γ: 99.6°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.31 Solvent Content: 46.85
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 SAD ? 2.750 29.668 25632 1304 95.750 0.184 0.235 38.402
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
2.740 50.000 96.800 0.095 ? 13.500 8.000 ? 26067 ? ? ?
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 2.74 2.84 89.10 ? ? ? 7.40 2375
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 1.5418 ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
SOLVE phasing .
RESOLVE phasing .
PHENIX refinement 1.5_2
PDB_EXTRACT data extraction 3.005
MAR345dtb data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
Feedback Form
Name
Email
Institute
Feedback