X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 10% (w/v) PEG 8000, 100 mM Tris base/Hydrochloric acid pH 7.0, 200 mM Magnesium chloride
Unit Cell:
a: 54.241 Å b: 74.965 Å c: 93.634 Å α: 90.000° β: 97.947° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.97 Solvent Content: 58.59
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 2.04 49.55 45534 2000 95.35 0.1833 0.2165 29.36
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
2.03 50.00 98.8 ? ? 14.4 6.5 ? 45534 ? ? 25.08
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 2.03 2.07 97.9 ? ? 2.47 6.4 ?
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 SSRF BEAMLINE BL19U1 0.97923 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
HKL-3000 data scaling 7.21
HKL-3000 data reduction 7.21
Coot model building 0.7.2.1
PHENIX phasing 1.17.1_3660
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