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. |