2D81
PHB depolymerase (S39A) complexed with R3HB trimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2005-07-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.934, 48.863, 64.198 |
| Unit cell angles | 90.00, 94.45, 90.00 |
Refinement procedure
| Resolution | 40.840 - 1.660 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d80 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.840 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.084 | 0.262 |
| Number of reflections | 29362 | |
| <I/σ(I)> | 25.9 | 0.262 |
| Completeness [%] | 98.3 | 89.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 294 | 2.0M sodium chloride, 0.1M acetate-NaOH, 5% 1,4-dioxane, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
