4LH3

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	148
Detector technology	IMAGE PLATE
Collection date	2012-08-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	84.871, 93.992, 132.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.630 - 1.813
R-factor	0.1682
Rwork	0.166
R-free	0.20280
RMSD bond length	0.006
RMSD bond angle	1.029
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]	19.661	19.661	1.910
High resolution limit [Å]	1.813	5.730	1.810
Rmerge		0.039	0.593
Total number of observations		15764	46954
Number of reflections	94657
<I/σ(I)>	11.8	14.8	1.2
Completeness [%]	98.3	94.7	90.9
Redundancy	4.9	5.1	3.7

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