4LGZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	148
Detector technology	IMAGE PLATE
Collection date	2012-09-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	84.938, 93.880, 132.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.616 - 1.675
R-factor	0.1693
Rwork	0.168
R-free	0.19410
RMSD bond length	0.006
RMSD bond angle	1.041
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]	19.644	19.644	1.760
High resolution limit [Å]	1.674	5.290	1.670
Rmerge		0.040	0.263
Total number of observations		19129	52505
Number of reflections	119816
<I/σ(I)>	14.4	12.9	2.9
Completeness [%]	98.2	98	89
Redundancy	4.4	4.7	3.3

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