6QAO

Structure of human aldehyde dehydrogenase 9A1 in P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	113.730, 167.450, 116.140
Unit cell angles	90.00, 90.94, 90.00

Refinement procedure

Resolution	49.710 - 2.890
R-factor	0.18
Rwork	0.179
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qak
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.710	3.350
High resolution limit [Å]	2.890	2.890
Rmerge	0.200
Number of reflections	96373
<I/σ(I)>	7.33
Completeness [%]	99.5
Redundancy	7.12
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	14% PEG 4K, 0.1 M sodium citrate pH 5.6