X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 17% PEG3350, 0.24M CaCl2, 0.1M BisTrisPropane, pH 6.8
Unit Cell:
a: 110.560 Å b: 110.560 Å c: 184.304 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 64 2 2
Crystal Properties:
Matthew's Coefficient: 3.04 Solvent Content: 59.53
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 1.88 52.95 54685 2669 99.93 0.1952 0.2316 61.09
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
1.88 55.28 99.93 ? ? 21.55 119.5 ? 54723 ? ? 48.46
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 1.88 1.94 ? ? ? 0.31 ? ?
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 I04 0.9795 Diamond I04
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
DIALS data reduction .
DIALS data scaling .
PHASER phasing .
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