X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 1.0 mM Spermidine, 5 mM Magnesium chloride, 0.05 M Sodium cacodylate pH 7.0, 10% (v/v) tert-Butanol
Unit Cell:
a: 200.163 Å b: 200.163 Å c: 348.201 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 4.30 Solvent Content: 71.40
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 3.70 49.53 65037 1998 85.20 0.3221 0.3303 38.51
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
3.60 50.00 99.6 ? ? 5.5 15.7 ? 66035 ? ? 14.80
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 3.60 3.66 98.9 ? ? 3.0 13.8 ?
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 0.97861 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement dev_svn
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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