X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.7 293 0.15 M sodium acetate, 0.1 M Bis-Tris methane, 25% (v/v) PEG 3,350
Unit Cell:
a: 60.240 Å b: 60.160 Å c: 88.990 Å α: 93.352° β: 100.453° γ: 101.854°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.44 Solvent Content: 49.55
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 1.81 37.25 108825 3265 99.79 0.1946 0.2410 28.23
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
1.81 46.58 99.8 0.229 ? 7.72 12.3 ? 108903 ? ? 30.59
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 1.81 1.87 98.7 ? ? ? 4.5 ?
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 BESSY BEAMLINE 14.1 0.9184 BESSY 14.1
Software
Software Name Purpose Version
PHENIX refinement 2.0
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
Coot model building .
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