X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 293.15 0.2 M ammonium sulfate, 0.1 M Na3 Cit pH 5.6, 16 % (w/v) PEG 3350
Unit Cell:
a: 275.695 Å b: 66.810 Å c: 90.596 Å α: 90.00° β: 98.84° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.85 Solvent Content: 56.86
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 3.33 29.84 23821 2368 98.47 0.2227 0.2668 ?
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
3.33 29.99 98.9 0.132 ? 8.0 4.4 ? 23857 ? ? 101.23
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 3.33 3.60 99.0 ? ? 2.3 4.3 ?
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 AUSTRALIAN SYNCHROTRON BEAMLINE MX3 0.95373 Australian Synchrotron MX3
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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