6BZ5
Structure and mechanism of salicylate hydroxylase from Pseudomonas putida G7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-05 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.615, 98.076, 130.136 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.810 - 2.006 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.23360 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.471 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.7.3-928) |
| Refinement software | PHENIX (1.7.3-928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.810 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.526 |
| Number of reflections | 133525 | 6476 |
| <I/σ(I)> | 25.1 | 2.9 |
| Completeness [%] | 99.0 | 95.6 |
| Redundancy | 7.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291.15 | Crystal was obtained manually by the hanging-drop vapour-diffusion after optimization of the initial conditions. The optimum condition was 1.26 M ammonium sulfate, 0.1 M Tris pH 9.0, 20% v/v glycerol. |
