2VBQ
Structure of AAC(6')-Iy in complex with bisubstrate analog CoA-S- monomethyl-acetylneamine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 190 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU-MSC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.964, 44.599, 88.387 |
| Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
| Resolution | 88.050 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.562 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.190 |
| Number of reflections | 21649 | |
| <I/σ(I)> | 16.9 | 4.5 |
| Completeness [%] | 95.9 | 92.3 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.75 | PROTEIN (15MG/ML, 10 MM TEA PH 8.0, 100 MM AMMONIUM SULFATE), PRECIPITANT (20 % PEG6000, 100 MM MES PH 5.75) VAPOUR DIFFUSION UNDER OIL |
