X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M sodium citrate (pH 5.0), 29% Jeffamine ED-2001 (pH 7.0)
Unit Cell:
a: 61.713 Å b: 88.639 Å c: 88.814 Å α: 64.65° β: 72.37° γ: 72.28°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.85 Solvent Content: 56.88
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 2.56 47.44 50503 2660 98.58 0.2514 0.3028 ?
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
2.56 50.0 97.0 0.317 ? 3.1 2.6 ? 99657 ? ? ?
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 2.56 2.71 95.5 ? ? 0.79 ? ?
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 SPRING-8 BEAMLINE BL32XU 1.0 SPring-8 BL32XU
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
XDS data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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