X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 298 0.1 M TRIS PH 8, 25 mM MAGNESIUM CHLORIDE, 20% (W/V) PEG3350, 10 mM compound
Unit Cell:
a: 91.670 Å b: 91.670 Å c: 119.831 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 2.75 Solvent Content: 55.35
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 FREE R-VALUE 2.50 29.11 12957 589 99.62 0.2131 0.2358 50.64
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
2.50 50 100 0.278 ? 1.29 3.3 ? 12957 ? ? ?
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 2.50 2.59 100 ? ? 0.58 3.3 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SEALED TUBE RIGAKU MICROMAX-003 1.5418 ? ?
Software
Software Name Purpose Version
PHENIX refinement 2.1rc1_6017
CrysalisPro data reduction .
CrysalisPro data scaling .
PHASER phasing .
PHENIX model building .
Coot model building .
Feedback Form
Name
Email
Institute
Feedback