X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293.0 0.8M NaFormate, 0.1M NaAcetate, 5% PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Unit Cell:
a: 45.883 Å b: 108.941 Å c: 54.051 Å α: 90.00° β: 103.71° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.56 Solvent Content: 51.89
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 MOLECULAR REPLACEMENT THROUGHOUT 1.73 19.57 47865 2568 93.92 0.16344 0.20394 25.575
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
1.73 20 93.92 0.048 ? 13.2 4.6 50932 47867 ? ? ?
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 1.73 ? 61.75 ? ? 4.8 ? ?
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 8.3.1 1.0 ALS 8.3.1
Software
Software Name Purpose Version
MOLREP phasing .
REFMAC refinement .
PDB_EXTRACT data extraction 2.000
CrystalClear data collection .
MOSFLM data reduction .
SCALA data scaling .
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