X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 292 Sodium malonate, potassium chloride, lithium chloride, spermine
Unit Cell:
a: 112.224 Å b: 112.224 Å c: 112.224 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: P 41 3 2
Crystal Properties:
Matthew's Coefficient: ? Solvent Content: ?
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 2.3 39.7 10731 567 99.9 ? 0.2168 55.652
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
2.3 39.7 99.95 0.142 ? 16.05 21.1 ? 11334 ? ? ?
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 2.3 2.5 100 ? ? 1.08 20.7 ?
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 ALBA BEAMLINE XALOC 0.9793 ALBA XALOC
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430 (refmacat 0.4.105)
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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