6QAK

Structure of human ALDH9 in P21212 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	2018-07-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	160.380, 159.590, 160.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.900 - 2.500
R-factor	0.192
Rwork	0.191
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a4s
RMSD bond length	0.010
RMSD bond angle	1.170
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]	48.200	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.208
Number of reflections	142787
<I/σ(I)>	10.3
Completeness [%]	99.6
Redundancy	13.4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	12% PEG 4K, sodium citrate pH 5.6, 2.5% isopropanol