X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 291 20-24 % PEG-3350, 150-300 mM Magnesium formate 1:1 drop ratio crocrystalisation. 16 mg/mL protein incubated in 10 mM ligand 1 hour before tray set up
Unit Cell:
a: 58.050 Å b: 63.190 Å c: 100.911 Å α: 107.360° β: 98.070° γ: 98.220°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.38 Solvent Content: 48.62
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 1.65 47.25 155509 7725 97.21 0.2015 0.2383 32.95
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
1.65 59.59 99.5 0.035 ? 13.4 3.6 ? 155548 ? ? 26.69
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 1.65 1.68 95.3 ? ? 1.4 3.4 ?
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 0.97625 Diamond I04
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
PHENIX refinement 1.20.1_4487
DIALS data reduction .
Aimless data scaling .
PHASER phasing .
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