X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 289.15 4 M ammonium acetate, 0.1 M sodium acetate trihydrate
Unit Cell:
a: 80.475 Å b: 80.475 Å c: 247.657 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 2.96 Solvent Content: 58.49
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 3.4020 49.0720 21456 1102 99.6000 0.2834 0.3306 135.8130
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
3.4 50 100 0.070 ? 25.2 5.2 ? 21586 ? ? ?
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 3.40 3.52 100 ? ? 2.2 5.4 ?
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 APS BEAMLINE 18-ID 0.9793 APS 18-ID
Software
Software Name Purpose Version
HKL-3000 data reduction .
PHASER phasing .
SCALA data scaling .
PHENIX refinement 1.11.1_2575
PDB_EXTRACT data extraction 3.24
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