4JZ6
Crystal structure of a salicylaldehyde dehydrogenase from Pseudomonas putida G7 complexed with salicylaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-17 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.608 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 169.470, 169.470, 157.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.168 - 2.417 |
R-factor | 0.2108 |
Rwork | 0.209 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bxs |
RMSD bond length | 0.005 |
RMSD bond angle | 0.926 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.170 | 2.550 |
High resolution limit [Å] | 2.417 | 2.417 |
Rmerge | 0.272 | |
Number of reflections | 51558 | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | Protein at 15 mg/ml. Mother liquor with 1.5 M ammonium sulfate, 5%(v/v) 2-propanol in 100 mM sodium acetate acetic acid buffer pH 5.0., VAPOR DIFFUSION, HANGING DROP, temperature 291K |