5JFL

Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00001
Spacegroup name	P 1 21 1
Unit cell lengths	107.393, 154.796, 126.594
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	33.643 - 2.300
R-factor	0.1896
Rwork	0.189
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c3s
RMSD bond length	0.004
RMSD bond angle	0.613
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.643	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.132	0.868
Number of reflections	357425
<I/σ(I)>	10.9	2.7
Completeness [%]	98.9	98
Redundancy	7.1	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	50 mM sodium citrate, pH 4.8, 4% w/v PEG8000, 5 mM NAD+