X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 277 20% PEG 3350 0.2M Na2SO4 10% Ethylene Glycol 0.1M bis-tris propane 7.5
Unit Cell:
a: 58.012 Å b: 107.280 Å c: 129.400 Å α: 90.000° β: 95.320° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.97 Solvent Content: 58.61
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 2.6000 48.7300 45795 2391 99.0800 0.2236 0.2551 53.7330
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
2.600 49.520 99.200 0.134 ? 11.000 7.100 ? 48206 ? ? ?
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 2.600 2.690 99.600 ? ? ? 7.300 ?
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 X06SA 1.000031 SLS X06SA
Software
Software Name Purpose Version
REFMAC refinement 5.8.0352
XDS data reduction .
Aimless data scaling 0.7.4
MOLREP phasing .
PDB_EXTRACT data extraction 3.27
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