7KQV

Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 4
Unit cell lengths	157.180, 157.180, 164.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.700 - 3.180
R-factor	0.2356
Rwork	0.233
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fhz
RMSD bond length	0.011
RMSD bond angle	1.353
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.240
High resolution limit [Å]	3.180	3.190
Rmeas	0.203
Rpim	0.082
Number of reflections	33530	1643
<I/σ(I)>	15.9	2.05
Completeness [%]	100.0	100
Redundancy	2.9
CC(1/2)		0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	20% PEG 100, 100 mM sodium/potassium phosphate, pH 6.2, 200 mM NaCl