X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 293 100 mM Tris, 900 mM NaCl, and 24% (w/v) PEG 6000 Soaking in: 100 mM Tris, 900 mM NaCl, 24% (w/v) PEG 6000, and 100 mM CaCl2
Unit Cell:
a: 46.454 Å b: 115.357 Å c: 53.498 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.52 Solvent Content: 51.27
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 FREE R-VALUE 1.45 35.08 33960 1684 65.97 0.1701 0.1974 27.92
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
1.45 36.18 86.4 ? ? 11.6 4.8 ? 33974 ? ? 20.69
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 4.41 36.18 83.6 ? ? 32.2 5.1 ?
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 ID23-1 0.8856 ESRF ID23-1
Software
Software Name Purpose Version
autoPROC data reduction 1.1.7 (20230726)
STARANISO data scaling 2.3.94 (20230525)
PHASER phasing 2.8.3
PHENIX refinement 1.20.1_4487
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