X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 292.15 PEG 8000, ethylene glycol, magnesium chloride, calcium chloride
Unit Cell:
a: 85.411 Å b: 85.411 Å c: 151.694 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 41 2 2
Crystal Properties:
Matthew's Coefficient: 3.05 Solvent Content: 59.64
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 2.00 85.41 34583 1834 94.37 0.19729 0.22113 71.757
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
2.00 151.69 94.4 ? ? 18.80 21 ? 36482 ? ? ?
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 2.00 2.05 63.2 ? ? ? 8.0 ?
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 NSRRC BEAMLINE TPS 05A 0.99984 NSRRC TPS 05A
Software
Software Name Purpose Version
Blu-Ice data collection .
DIALS data reduction 3.18.0
DIALS data scaling 3.18.0
PHENIX refinement 1.20.1
PHASER phasing 2.8.3
PDB_EXTRACT data extraction 4.2
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