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 |