X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6 278 1.26 M sodium phosphate monobasic, 0.14 M potassium phosphate dibasic
Unit Cell:
a: 67.795 Å b: 68.648 Å c: 138.407 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.53
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 FOURIER SYNTHESIS THROUGHOUT 2.1120 29.9000 37584 1791 99.3000 0.2382 0.2738 49.1300
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
2.110 138.470 99.800 0.406 ? 5.400 6.800 ? 37830 ? ? 40.050
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 2.110 2.180 98.400 ? ? ? 7.000 3180
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 DIAMOND BEAMLINE I04-1 0.91788 Diamond I04-1
Software
Software Name Purpose Version
BUSTER refinement 2.10.4 (20-OCT-2021)
Aimless data scaling 0.7.7
PDB_EXTRACT data extraction 3.23
XDS data reduction .
REFMAC phasing .
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