X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 295.15 0.1M Bis-Tris, 0.2M Magnesium Chloride, 28% PEG3350
Unit Cell:
a: 43.010 Å b: 51.170 Å c: 69.080 Å α: 68.34° β: 71.90° γ: 76.14°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.39
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 2.81 40.47 12230 612 96.90 0.2465 0.3032 ?
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
2.81 62.22 97.2 0.108 ? 4.6 1.8 ? 12230 ? ? ?
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 2.90 2.95 ? ? 0.463 ? 1.7 ?
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 DIAMOND BEAMLINE I24 0.9999 Diamond I24
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
xia2 data scaling .
xia2 data reduction .
MOLREP phasing .
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