4LH1

Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with malonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	148
Detector technology	IMAGE PLATE
Collection date	2012-09-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	84.921, 93.999, 132.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.631 - 1.673
R-factor	0.1711
Rwork	0.170
R-free	0.19830
RMSD bond length	0.006
RMSD bond angle	1.032
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.647	19.647	1.760
High resolution limit [Å]	1.672	5.290	1.670
Rmerge		0.035	0.358
Total number of observations		18940	51398
Number of reflections	120594
<I/σ(I)>	13.4	15.7	2.1
Completeness [%]	98.5	97.7	91.2
Redundancy	4.4	4.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	15-25% PEG 3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K