X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 295 20% PEG 8000, 0.1 M Na-cacodylate, 0.2 M Mg-acetate
Unit Cell:
a: 60.750 Å b: 82.120 Å c: 89.040 Å α: 92.350° β: 95.360° γ: 89.860°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.26 Solvent Content: 45.49
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 2.3100 34.5000 61485 3165 85.7400 0.2368 0.2765 37.3660
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
2.31 34.500 96.600 0.048 ? 14.860 2.095 ? 64648 ? -3.000 39.915
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 2.400 2.460 96.400 ? ? 2.540 2.047 ?
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 SLS BEAMLINE X06DA 1.0000 SLS X06DA
Software
Software Name Purpose Version
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
REFMAC refinement 5.8.0135
PDB_EXTRACT data extraction 3.22
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