X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.3 291 0.1 M HEPES pH 7.3, 7% w/v polyethylene glycol 6,000, 5% v/v (+/-)-2-Methyl-2,4-pentanediol
Unit Cell:
a: 57.050 Å b: 101.970 Å c: 74.110 Å α: 90.000° β: 89.860° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.37 Solvent Content: 48.11
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 2.80 59.95 20810 1985 99.06 0.2870 0.3094 15.48
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
2.8 59.96 99 0.172 ? 7.2 3.2 ? 20816 ? ? 12.15
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 2.80 2.95 98 ? ? 2.1 3.1 ?
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 1.0 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
PHENIX refinement 1.17.1_3660
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing 1.17.1_3660
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