X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 295 100 mM Bis-Tris pH 5.5, 200 mM LiSO4 and 20 % w/v PEG 3350, 10 mM STM5451
Unit Cell:
a: 85.986 Å b: 85.986 Å c: 66.69 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 61
Crystal Properties:
Matthew's Coefficient: 2.63 Solvent Content: 53.28
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 1.437 20.65 44991 2313 88.2 0.1633 0.1909 27.82
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
1.437 74.466 95.7 0.0812 ? 20.26 20.82 ? 45010 ? ? ?
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 4.108 74.466 100.0 ? ? 77.00 22.32 2251
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 APS BEAMLINE 17-ID 1.0 APS 17-ID
Software
Software Name Purpose Version
autoPROC data processing 1.1.7 20230726
XDS data reduction Jun 30, 2023
pointless data scaling 1.12.14
Aimless data scaling 0.7.9
STARANISO data scaling 2.3.94
MOLREP phasing 11.9.02
Coot model building 0.9.8.1
BUSTER refinement 2.11.8
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