X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293.15 0.1M Tris (pH 8.5), 0.2M magnesium chloride hexahydrate, 25% polyethylene glycol 3350, 30% trimethylamine N-oxide dihydrate
Unit Cell:
a: 68.958 Å b: 54.088 Å c: 81.989 Å α: 90.00° β: 93.14° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.59 Solvent Content: 52.58
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 1.94 42.53 32180 1581 72.10 0.1881 0.2350 ?
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
1.94 54.178 89.2 0.136 ? 7.1 4.9 ? 32191 ? ? 25.63
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 1.945 2.087 52.0 ? ? 1.4 4.9 ?
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 PAL/PLS BEAMLINE 5C (4A) 1.0003 PAL/PLS 5C (4A)
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
MOLREP phasing .
PDB_EXTRACT data extraction .
MxDC data collection .
autoPROC data processing .
STARANISO data scaling .
Coot model building .
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