X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293 2.4M Sodium malonate (pH 7.0)
Unit Cell:
a: 66.565 Å b: 76.273 Å c: 77.219 Å α: 113.86° β: 98.35° γ: 106.78°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 3.50 Solvent Content: 64.89
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 3.13 40.60 22037 1084 98.58 0.2272 0.2800 ?
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
3.13 50 97.2 ? 0.126 6.5 2.7 ? 43700 ? ? ?
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 3.13 3.32 95.4 ? 0.994 1.0 2.4 ?
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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