From: Crystal structure of THEP1 from the hyperthermophile Aquifex aeolicus: a variation of the RecA fold
Data collection | ||
---|---|---|
Beamline | Swiss Light Source X06SA | |
Space group | P2(1) | |
Unit-cell dimensions | a = 35.0 Å b = 64.2 Å c = 39.6 Å | |
Unit-cell angles | α = 90.0° β = 105.2° γ = 90.0° | |
Vm | 2.17 Å 3/Da | |
Solvent content | 43.3 % | |
Wavelength | λpeak = 0.97625 Å | λinfl = 0.97980 Å |
Resolution | 20 - 1.4 Å | 20 - 1.4 Å |
Completeness | 95.3 % | 95.6 % |
Reflections (unique) | 227088 (64230) | 227487 (64213) |
R symm a,b total | 5.7% | 3.7% |
R symm a,b last shell | 37.3% | 19.2% |
I/σ(I) total | 11.67 | 19.31 |
I/σ(I) last shell | 3.49 | 6.62 |
Wilson-B | 20.86 Å2 | 19.61 Å2 |
Phasing | ||
Anomalous phasing power | λinfl = 1.7 λpeak = 1.8 | |
Anomalous phasing power last shell | λinfl = 0.46 λpeak = 0.48 | |
FOM | 42% | |
FOM last shell | 15% | |
FOM after solvent flattening | 86% | |
FOM after solvent flattening, last shell | 73% | |
Refinement | ||
Resolution | 18.2 - 1.4 Å | |
Reflections unique (test set) | 31501(1679) | |
Number of amino acids | 178 | |
Number of atoms | 1679 | |
Number of water molecules | 293 | |
R cryst | 16.8% | |
R free | 20.8% |