X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 SEC buffer: 20mM Tris-HCl pH 8.0, 100mM NaCl Crystallization buffer: 0.2M ammonium sulfate, 0.1M NaOAc pH 4.5, 25% PEG 4000 Protein was concentrated in SEC buffer to 18 mg/mL, co-incubated with 10 mM GDP, and mixed in a 1:1 volume ratio with the crystallization buffer.
Unit Cell:
a: 45.197 Å b: 67.294 Å c: 103.226 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 2 21 21
Crystal Properties:
Matthew's Coefficient: 2.26 Solvent Content: 45.46
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 1.30 45.20 76392 3930 97.97 0.2024 0.2198 23.30
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
1.30 45.2 97.96 0.01129 ? 22.81 1.97 ? 76407 ? ? 17.61
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 1.30 1.348 82.81 ? ? 1.26 1.699 ?
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 APS BEAMLINE 23-ID-D 1.033200 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
XDS data reduction .
Aimless data scaling .
XDS data scaling .
PHENIX phasing .
Coot model building .
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