X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 289 0.4M Magnesium formate, 0.1M Sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Unit Cell:
a: 62.472 Å b: 83.264 Å c: 125.641 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.36 Solvent Content: 63.35
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 SAD THROUGHOUT 2.05 34.71 9885 487 98.22 0.20345 0.21686 47.561
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
2.05 34.71 98.3 0.08 ? 37.6 6.7 10377 10377 0 0 ?
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 2.05 2.10 88.3 ? ? 2.2 4.5 632
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
SYNCHROTRON APS BEAMLINE 19-ID 0.97857 APS 19-ID
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
SBC-Collect data collection .
HKL-3000 data reduction .
HKL-3000 data scaling .
SHELXS phasing .
MLPHARE phasing .
DM phasing .
RESOLVE phasing .
HKL-3000 phasing .
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