8OF3

Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.99187
Spacegroup name	H 3 2
Unit cell lengths	212.689, 212.689, 186.742
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	131.140 - 1.348
R-factor	0.1494
Rwork	0.149
R-free	0.16410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.180
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	131.140	1.500
High resolution limit [Å]	1.340	1.340
Rmerge	0.156	1.800
Number of reflections	241670	12083
<I/σ(I)>	15.6
Completeness [%]	68.0
Redundancy	20
CC(1/2)	0.998	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	292	1.7M LiSO4