3AFL
Crystal structure of exotype alginate lyase Atu3025 H531A complexed with alginate trisaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.845, 99.643, 109.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.850 - 2.990 |
| R-factor | 0.20211 |
| Rwork | 0.199 |
| R-free | 0.26234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a0o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.064 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.099 | 0.361 |
| Number of reflections | 18590 | |
| <I/σ(I)> | 11.2 | 4.9 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 17% PEG 4000, 8.5% iso-propanol, 0.085M HEPES-Na, 15% glycerol, 10mM alginate trisaccharide, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
