X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 100 mM Bis-Tris Ph 6.5,200 mM (NH4)2SO4, 25% peg 3350
Unit Cell:
a: 71.71 Å b: 95.59 Å c: 137.958 Å α: 90.0° β: 90.0° γ: 90.0°
Symmetry:
Space Group: P 2 21 21
Crystal Properties:
Matthew's Coefficient: 2.40 Solvent Content: 48.80
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 NONE 2.50006547898 44.1050132044 32697 2000 97.4894898476 0.208152352097 0.252000643893 56.9464402766
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
2.50 78.694 99.90 ? ? 2.40 13.10 ? 32697 ? ? ?
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 2.50 2.60 ? ? ? ? ? ?
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 0.9786 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692+SVN
HKL-3000 data reduction .
HKL-3000 data scaling .
PHASER phasing .
Coot model building .
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