X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION
X-RAY DIFFRACTION
Unit Cell:
a: 51.760 Å b: 51.760 Å c: 91.560 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 4 2 2
Crystal Properties:
Matthew's Coefficient: 1.68 Solvent Content: 26.89
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 MAD ? 1.3500 45.0580 14001 704 99.4100 0.1629 0.1820 21.7243
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
1.350 45.058 98.600 0.032 ? 14.830 ? 25782 25782 -3.000 -3.000 21.595
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 1.350 1.390 98.500 ? ? 2.070 ? ?
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 ALS BEAMLINE 12.3.1 0.9793, 1.116 ALS 12.3.1
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement 1.7.3_928
PDB_EXTRACT data extraction 3.11
MxDC data collection .
XDS data reduction .
PHENIX phasing (1.7.3_928)
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