X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 290 20.7 mg/mL PsaeA.17389.a.B1.PW37587 crystallized in sitting drop vapor diffusion with Rigaku MCSG1 B5: 0.2 M MgCl2; 0.1 M Tris pH 8.5; 25% PEG3350, cryo: 20% EG. tray 259534b5, puck rzw4-7
Unit Cell:
a: 113.920 Å b: 109.060 Å c: 109.930 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.62 Solvent Content: 53.06
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 2.7500 49.0840 34774 2192 95.8400 0.1709 0.2344 36.0318
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
2.750 49.084 99.900 0.105 ? 18.880 7.402 ? 36266 ? -3.000 36.840
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 2.750 2.820 100.000 ? ? 4.360 7.546 ?
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 APS BEAMLINE 21-ID-G 0.97872 APS 21-ID-G
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement 1.11.1_2575
PDB_EXTRACT data extraction 3.22
XDS data reduction .
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