5MZ8

Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate

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	2015-12-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	91.580, 151.810, 159.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.070 - 2.200
R-factor	0.189
Rwork	0.188
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w8q
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	2.330
High resolution limit [Å]	2.200	2.200
Number of reflections	112964
<I/σ(I)>	6.9	1.32
Completeness [%]	100.0	99.8
Redundancy	9.64	9.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	protein buffer: 20 mM Tris-HCl buffer, pH 8.0, 100 mM NaCl and 2% (w/v) glycerol; precipitant solution: 29 % (w/v) PEG 2000-MME, soak with 20 mM sodium succinate for 1 hour