X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 20% (w/v) PEG 3350, 200 mM Magnesium formate, 100 mM HEPES pH 7.4
Unit Cell:
a: 84.755 Å b: 67.082 Å c: 89.58 Å α: 90° β: 117.03° γ: 90°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.14 Solvent Content: 42.64
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 1.1 16.05 343395 16932 95.1 0.1108 0.1287 13.56
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
0.998 75.494 98.1 0.092 ? 9.7 13.8 ? 380275 ? ? 8.45
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 2.956 75.494 100 ? ? 25.6 14.2 ?
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 PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) 0.68880 PETRA III, EMBL c/o DESY P14 (MX2)
Software
Software Name Purpose Version
BUSTER refinement 2.10.4
autoPROC data reduction 2025-04-07
XDS data reduction 20250430
STARANISO data scaling 3.0.6beta
PHASER phasing .
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