X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 291 15% acetone, 0.6M Ammonium formate (metal basis), 0.6M sodium citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 82.465 Å b: 82.465 Å c: 33.843 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 1.93 Solvent Content: 36.20
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 2.56 14.75 2468 283 99.14 0.20007 0.21956 29.369
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
2.56 14.75 ? ? 0.1030 ? ? 2464 2479 ? ? ?
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 2.56 2.64 ? ? ? 4.3 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 291 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RUH3R 1.5418 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
MAR345dtb data collection .
AUTOMAR data reduction .
SCALEPACK data scaling .
AMoRE phasing .
Feedback Form
Name
Email
Institute
Feedback