X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Protein concentration: 12 mg/ml. Reservoir buffer: 30% PEG 3350, 0.1M sodium citrate pH 5.9, 0.15M MgCl2, 0.1M bis-tris pH 6.0. Cryoprotectant: 20% ethylene glycol
Unit Cell:
a: 76.550 Å b: 78.080 Å c: 94.220 Å α: 90.00° β: 98.76° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.19 Solvent Content: 43.84
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 1.97 63.67 73826 3842 100.00 0.19463 0.22975 48.871
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
1.97 63.67 100.0 0.078 ? 13.1 6.4 ? 77687 ? ? ?
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 1.97 2.04 ? ? ? ? 6.3 ?
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 SLS BEAMLINE X06DA 1.0 SLS X06DA
Software
Software Name Purpose Version
REFMAC refinement 5.8.0230
Aimless data scaling .
PDB_EXTRACT data extraction .
XDS data reduction .
PHASER phasing .
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