4NNC
Ternary complex of ObcA with C4-CoA adduct and oxalate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC Quantum Q270r |
Wavelength(s) | 0.97935 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 174.634, 174.634, 46.057 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.119 - 2.279 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nna |
RMSD bond length | 0.008 |
RMSD bond angle | 1.134 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.150 | 0.949 |
Number of reflections | 33093 | |
<I/σ(I)> | 11.44 | 2.8 |
Completeness [%] | 99.6 | 98.83 |
Redundancy | 9.4 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.2M K/Na tartrate, 0.1M Sodium citrate, 2M Ammonium Sulfate, 15% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 295K, pH 5.6 |