X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 50 mM Tris pH 8.5, 24% PEG 8000, 0.2 M Magnesium chloride hexahydrate
Unit Cell:
a: 44.788 Å b: 46.761 Å c: 63.619 Å α: 94.176° β: 91.610° γ: 118.887°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.16 Solvent Content: 43.11
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 1.480 40.743 67791 2084 90.401 ? 0.2448 20.550
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
1.48 40.75 90.4 ? 0.106 4.22 1.7 ? 67791 ? ? 22.93
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 1.48 1.57 79.4 ? 1.34 0.50 1.6 ?
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 ESRF BEAMLINE MASSIF-1 0.965459 ESRF MASSIF-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0431
XDS data reduction 20250714
XSCALE data scaling 20250714
PHASER phasing 2.8.3
ARP/wARP model building 8.0-1
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