X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.1 M Sodium acetate (pH 5), 0.05 M LiCl, 15 % v/v PEG 400, protein solution: 10 mg/ml in 50 mM Tris, 200 mM NaCl, 5% glycerol, pH 8 (at 277 K)
Unit Cell:
a: 133.390 Å b: 133.390 Å c: 53.380 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: ? Solvent Content: ?
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 1.66 32.04 64450 2100 99.87 0.1566 0.1802 41.68
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
1.66 48.46 99.9 ? ? 25.36 20.6 ? 64464 ? ? 39.77
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 1.66 1.76 99.4 ? ? 1.12 20.71 ?
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 PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) 0.97624 PETRA III, EMBL c/o DESY P13 (MX1)
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
MxCuBE data collection .
XDS data reduction .
XDS data scaling .
PHASER phasing .
PHENIX model building .
Coot model building .
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