X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 277 0.2M Magnesium formate, dihydrate, 20% w/v PEG 3350
Unit Cell:
a: 42.314 Å b: 66.810 Å c: 99.072 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 1.83 Solvent Content: 32.93
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 2.10 38.91 16937 799 99.47 0.2268 0.2679 33.56
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
2.0 49.54 100 0.116 ? 13.1 7.1 ? 19700 ? ? 23.96
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 2.0 2.05 100 ? ? 2.7 7.3 ?
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 0.97777 RRCAT INDUS-2 PX-BL21
Software
Software Name Purpose Version
XDS data reduction .
Aimless data scaling .
PHASER phasing .
PHENIX model building .
PHENIX refinement 1.21.2_5419
Coot model building .
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