X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 292 0.2 M NaCl (Salt) 0.1 M TRIS 8.5 pH (Buffer) 25 %w/v PEG 3350 (Precipitant)
Unit Cell:
a: 51.416 Å b: 51.567 Å c: 65.992 Å α: 82.900° β: 85.326° γ: 65.901°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.03 Solvent Content: 39.51
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 2.800 38.76 14980 719 99.074 ? 0.3045 47.074
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
2.80 38.76 99.2 0.244 ? 3.0 3.7 ? 15006 ? ? ?
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 98.9 ? ? 0.7 3.4 ?
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 DIAMOND BEAMLINE I03 0.7838 Diamond I03
Software
Software Name Purpose Version
REFMAC refinement 5.8.0431
xia2 data reduction .
Aimless data scaling .
PHASER phasing .
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