7YOB

Crystal structure of Aldehyde dehydrogenase 1A1 from mouse

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	104.062, 156.484, 129.209
Unit cell angles	90.00, 97.97, 90.00

Refinement procedure

Resolution	127.960 - 2.890
R-factor	0.1963
Rwork	0.195
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2n
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	127.960	2.995
High resolution limit [Å]	2.890	2.890
Rmerge	0.035	0.295
Rmeas	0.050	0.417
Rpim	0.035	0.295
Number of reflections	85287	9049
<I/σ(I)>	8.31	2.32
Completeness [%]	93.2
Redundancy	1.9
CC(1/2)	0.999	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.2 M potassium iodide (pH 7.0) and 20% (w/v) polyethylene glycol 3,350