2Y4N
PaaK1 in complex with phenylacetyl adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.260, 62.390, 76.590 |
| Unit cell angles | 91.16, 108.33, 106.27 |
Refinement procedure
| Resolution | 27.010 - 1.920 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.23192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y27 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.798 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.010 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.060 | 0.440 |
| Number of reflections | 68731 | |
| <I/σ(I)> | 15.2 | 2.7 |
| Completeness [%] | 93.8 | 90.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
