3V9L

Crystal structure of mouse 1-pyrroline-5-carboxylate dehydrogenase complexed with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-27
Detector	NOIR-1
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	84.888, 94.053, 132.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.647 - 1.502
R-factor	0.1588
Rwork	0.158
R-free	0.17580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9j
RMSD bond length	0.006
RMSD bond angle	1.111
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.027	47.027	1.580
High resolution limit [Å]	1.502	4.750	1.502
Rmerge		0.020	0.399
Total number of observations		40342	161483
Number of reflections	168338
<I/σ(I)>	25.3	75	4.9
Completeness [%]	99.6	99.9	97.6
Redundancy	7.3	7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	reservoir: 20-25% w/v PEG3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, cryoprotectant: 25% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K