X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 277 1.8M sodium acetate trihydrate, 0.1M Bis-Tris propane, pH 7.0, vapor diffusion, temperature 277K
Unit Cell:
a: 144.241 Å b: 144.241 Å c: 92.150 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 3.31 Solvent Content: 62.85
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 THROUGHOUT 2.8000 38.8600 23076 1158 98.9000 0.1824 0.2248 38.8401
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
2.800 50.000 99.000 0.098 ? 9.300 3.100 ? 23093 ? ? ?
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 2.800 2.900 99.700 ? ? ? 3.100 2299
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 BL17U 0.9793 SSRF BL17U
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
REFMAC refinement 5.7.0029
PDB_EXTRACT data extraction 3.14
HKL-2000 data collection .
HKL-2000 data reduction .
PHASER phasing .
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