X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 0.2 M CALCIUM ACETATE HYDRATE, 20 % (W/V) PEG3350
Unit Cell:
a: 86.016 Å b: 60.115 Å c: 138.651 Å α: 90.00° β: 90.64° γ: 90.00°
Symmetry:
Space Group: P 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.71 Solvent Content: 54.6
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 2.10 49.27 81824 4010 98.31 0.2001 0.2380 ?
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
2.10 50.00 99.9 0.112 ? 7.7 6.3 ? 82090 ? ? ?
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 2.12 2.16 99.3 ? ? ? 4.4 ?
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 NSLS-II BEAMLINE 19-ID 0.9786 NSLS-II 19-ID
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
HKL-3000 data scaling .
XDS data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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