4X19
Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.480, 88.816, 169.877 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 48.700 - 1.944 |
| R-factor | 0.2504 |
| Rwork | 0.248 |
| R-free | 0.28940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bjp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.994 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 2.050 |
| High resolution limit [Å] | 1.900 | 1.940 |
| Rmerge | 0.120 | |
| Number of reflections | 118466 | |
| <I/σ(I)> | 5.2 | 1.9 |
| Completeness [%] | 93.0 | 96.3 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350 |
