X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 0.1 M sodium citrate, 0.2 M sodium acetate trihydrate pH 5.5, 10 % PEG w/v 4000
Unit Cell:
a: 118.314 Å b: 118.314 Å c: 249.951 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65
Crystal Properties:
Matthew's Coefficient: 3.05 Solvent Content: 59.74
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 THROUGHOUT 2.6000 94.8060 59939 3062 98.8300 0.2008 0.2469 48.2710
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
2.600 249.950 99.000 0.219 ? 6.800 9.200 ? 60113 ? ? 45.660
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 2.600 2.670 89.600 ? ? ? 6.000 ?
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 ESRF BEAMLINE ID23-2 0.8731 ESRF ID23-2
Software
Software Name Purpose Version
PHENIX refinement 1.13rc1_2958
Aimless data scaling 0.5.32
PDB_EXTRACT data extraction 3.24
DIALS data reduction .
PHASER phasing .
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