5WSY
The complex structure of SAV606 with N-carboxymethyl-3-aminobutyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.495, 118.313, 71.423 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.570 - 2.000 |
| R-factor | 0.17998 |
| Rwork | 0.178 |
| R-free | 0.21452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pfc |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.091 | 0.556 |
| Number of reflections | 32063 | |
| <I/σ(I)> | 21.4 | 2.4 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 6.5 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 1.0 M magnesium citrate, 0.1 M imidazole, 1% glycerol, 10 mM N-carboxymethyl-3-aminobutyrate |
