X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Sodium dihydrogen phosphate 1.2M, Di-potasium hydrogen phosphate 0.8M, Lithium sulfate anhydre 0.2M, CAPS 0.1M pH 10.5
Unit Cell:
a: 129.800 Å b: 129.400 Å c: 188.500 Å α: 98.200° β: 104.700° γ: 115.100°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.81 Solvent Content: 56.18
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 3.00 84.16 200810 998 97.42 0.2567 0.2963 101.10
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 84.16 97.1 ? ? 6.4 3.4 ? 200908 ? ? 78.19
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 3.0 3.18 ? ? ? ? ? ?
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
PHENIX refinement 2.0rc1_5617
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
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