X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.5 293 100 mM CHES (pH 9.5) and 30% PEG-3000
Unit Cell:
a: 89.165 Å b: 89.165 Å c: 39.54 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 2.16 Solvent Content: 43.10
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 1.16 16.75 89780 4478 83.3 0.1614 0.1904 23.95
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
1.16 63.05 83.3 0.061 ? 17.3 9.6 ? 89839 ? ? ?
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 1.16 1.22 ? 32.2 ? ? 1.6 ?
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 I04-1 0.9212 Diamond I04-1
Software
Software Name Purpose Version
BUSTER refinement 2.10.4
Aimless data scaling .
PHASER phasing .
XDS data reduction .
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