X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.0 289 Protein at 10 mg/ml mixed 1:1 with mother liquor of 2M NaCl, 0.1M sodium citrate, pH 4.0, 20% PEG 6000
Unit Cell:
a: 139.377 Å b: 139.377 Å c: 139.377 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 21 3
Crystal Properties:
Matthew's Coefficient: 4.3 Solvent Content: 71
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 3.05 32.87 7441 346 88.93 0.22275 0.25153 151.532
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
3.05 34.84 99.9 0.160 ? 21.6 40.4 ? 8746 ? ? 138.8
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 3.05 3.26 100 ? ? 1.0 41.3 ?
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
ROTATING ANODE RIGAKU FR-X 1.54179 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0258
Aimless data scaling 0.7.15
XDS data reduction 20230630
PDB_EXTRACT data extraction .
PHASER phasing 2.8.3
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