X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 0.1 M Bis-Tris, pH 6.5, 2% v/v Tascimate, pH 6.0 and 20% w/v PEG 3350
Unit Cell:
a: 59.466 Å b: 142.183 Å c: 302.831 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 2 21
Crystal Properties:
Matthew's Coefficient: 2.73 Solvent Content: 54.88
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 2.87 29.91 59818 2936 99.54 0.2167 0.2672 ?
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
2.87 29.91 99.5 0.110 ? 17.6 13.6 ? 59904 ? ? ?
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 2.87 2.95 ? 94.8 ? ? 13.5 ?
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 0.97628 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
Aimless data scaling .
PHASER phasing .
PDB_EXTRACT data extraction .
FAST_DP data reduction .
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