X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dehydrate pH5.6, 30% w/v Polyethylene glycol 4,000, 3% w/v Trimethylamine N-oxide dihydrate
Unit Cell:
a: 43.180 Å b: 60.755 Å c: 94.059 Å α: 90.97° β: 93.10° γ: 101.55°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.43 Solvent Content: 49.48
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 2.90 93.88 17930 901 90.98 0.24281 0.28520 72.123
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
2.90 93.88 91.2 0.165 ? 6.6 3.5 ? 18875 ? ? ?
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 2.90 3.08 97.5 ? ? 1.2 3.6 ?
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 PAL/PLS BEAMLINE 5C (4A) 1.0000 PAL/PLS 5C (4A)
Software
Software Name Purpose Version
REFMAC refinement 5.8.0403
XDS data reduction Jan 10, 2022
STARANISO data scaling .
MOLREP phasing 11.9.02
MxDC data collection .
PDB_EXTRACT data extraction 3.27
Coot model building 0.9.8.3
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