8RKR

Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9188
Spacegroup name	P 1 21 1
Unit cell lengths	71.914, 85.158, 85.615
Unit cell angles	90.00, 103.14, 90.00

Refinement procedure

Resolution	48.470 - 1.200
R-factor	0.1656
Rwork	0.165
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.796
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.470	48.470	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.080	0.027	2.218
Rmeas	0.086	0.029	2.406
Total number of observations	2106156
Number of reflections	312229	3604	22999
<I/σ(I)>	11.12	54.4	0.77
Completeness [%]	99.8	99.4	99.8
Redundancy	6.746	7.344	6.679
CC(1/2)	0.999	0.999	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	25% PEG 3350, 0.1M TRIS pH 8.5