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