X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 1:1 protein:reservoir solution 40 mg/mL protein with 2 mM Benzamide Adenine dinucleotide 14-19% PEG 3350, 0.2 M MgSO4
Unit Cell:
a: 132.762 Å b: 132.762 Å c: 132.762 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 3 2
Crystal Properties:
Matthew's Coefficient: 3.84 Solvent Content: 67.95
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 2.44 40.03 15058 1505 97.08 0.2411 0.2869 69.41
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
2.438 40.03 97.07 0.086 ? 9.9 58.5 ? 15064 ? ? 32.72
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 2.45 2.49 ? ? ? ? 30.5 ?
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 SSRL BEAMLINE BL12-2 0.9795 SSRL BL12-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
BUSTER refinement .
ISOLDE model building .
Coot model building .
HKL-3000 data reduction .
HKL-3000 data scaling .
PHENIX phasing .
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