X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 288 50MM TRIS/HCL, 50%DMSO, 1.9M CSCL,, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K
Unit Cell:
a: 92.452 Å b: 92.452 Å c: 129.778 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 47.21
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 FOURIER SYNTHESIS Free R 1.56 22.632 46352 2317 98.17 0.1488 0.1671 ?
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
1.56 27.0 98.1 ? 0.075 15.4 4.0 46395 46395 0.0 0.0 ?
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 1.56 1.59 87.8 ? 0.357 2.9 3.3 ?
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 BESSY BEAMLINE 14.2 0.91841 BESSY 14.2
Software
Software Name Purpose Version
MAR345dtb data collection .
PHENIX model building .
PHENIX refinement (phenix.refine: 1.8_1069)
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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