X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.5 294 0.1 M CHES buffer, pH9.5, 20% PEG8000
Unit Cell:
a: 68.653 Å b: 74.665 Å c: 86.751 Å α: 72.859° β: 67.700° γ: 64.776°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.04 Solvent Content: 39.83
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-VALUE 1.40 40.96 256364 13112 91.42 0.1712 0.1914 15.11
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
1.4 47.44 91.4 0.072 ? 15.8 7 ? 256392 ? ? 10.94
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 1.4 1.42 55.8 ? ? 4.0 7.2 ?
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 RRCAT INDUS-2 BEAMLINE PX-BL21 0.978930 RRCAT INDUS-2 PX-BL21
Software
Software Name Purpose Version
XDS data reduction .
Aimless data scaling .
PHASER phasing .
PHENIX model building .
Coot model building .
PHENIX refinement 1.21.2_5419
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