4LXG
Crystal structure of DxnB2, a carbon - carbon bond hydrolase from Sphingomonas wittichii RW1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.983, 66.983, 327.743 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.460 - 2.220 |
| R-factor | 0.2033 |
| Rwork | 0.202 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1i |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.017 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.030 | 2.200 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 22668 | |
| Completeness [%] | 99.5 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.2 | 293 | grid of ammonium sulfate (1.0-2.5 M) containing 0.1 M Tris, pH 8.2 and 6-10% ethanol, VAPOR DIFFUSION, temperature 293K |
