X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Purification: 13.3 mg/mL, in 20 mM Tris-HCl pH 8.0, 100 mM NaCl Crystallization condition: 100mM sodium phosphate dibasic/ citric acid pH 4.2, 200mM NaCl, 20% w/v PEG 8,000
Unit Cell:
a: 157.042 Å b: 45.040 Å c: 96.407 Å α: 90.000° β: 113.960° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.63
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 1.83 33.98 54546 2000 98.83 0.1962 0.2264 28.85
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
1.83 33.98 98.80 0.1331 ? 5.49 3.01 ? 54546 ? ? 26.21
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 1.83 1.895 99.58 ? ? 1.02 3.04 ?
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 NSLS-II BEAMLINE 17-ID-1 0.920119 NSLS-II 17-ID-1
Software
Software Name Purpose Version
XDS data reduction .
PHENIX refinement 1.20.1_4487
PHENIX phasing .
Coot model building .
Aimless data scaling .
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