X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 293 0.1M BisTris pH5.5, 0.2M Ammonium Acetate, 23-26% PEG3350
Unit Cell:
a: 158.163 Å b: 68.89 Å c: 227.711 Å α: 90° β: 104.61° γ: 90°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.75
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 2.235 220.35 81602 4139 70.7 0.1950 0.2286 55.42
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
2.235 220.347 89.6 0.141 ? 5.5 3.2 ? 81602 ? ? 38.4
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 2.235 2.470 41.1 ? ? 1.5 1.5 ?
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 ID30B 0.87313 ESRF ID30B
Software
Software Name Purpose Version
BUSTER refinement 2.10.4
autoPROC data reduction 20240123
STARANISO data scaling .
PHASER phasing 2.8.3
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