3A2Q
Structure of 6-aminohexanoate cyclic dimer hydrolase complexed with substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 62 |
| Unit cell lengths | 130.660, 130.660, 58.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.770 - 1.800 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a2p |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.054 | 0.489 |
| Number of reflections | 52953 | |
| <I/σ(I)> | 37.9 | 5.1 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 283 | 1.0M sodium citrate, 25% (v/v) glycerol, 0.1M imidazole buffer pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
