X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.4 280 15% acetic acid to dissolve the collagen, peg4000, pH 3.4, VAPOR DIFFUSION, HANGING DROP, temperature 280K
Unit Cell:
a: 26.4 Å b: 25.3 Å c: 61.9 Å α: 90.00° β: 90.05° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.72 Solvent Content: 28.67
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 1.21 10.00 20642 1115 82.2 ? .2583 ?
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
1.20 30.0 86.6 ? 0.0894 9.9 8.2 21822 21822 0.0 0.0 8.6
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 1.21 1.35 60.4 ? 0.146 5.3 4.5 4151
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 21-ID-F 0.9785 APS 21-ID-F
Software
Software Name Purpose Version
PHASER phasing .
SHELXL-97 refinement .
HKL-2000 data reduction .
HKL-2000 data scaling .
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