7ORC

Human Aldehyde Oxidase in complex with Raloxifene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	149.033, 149.033, 268.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.850 - 2.700
R-factor	0.2203
Rwork	0.219
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uhw
RMSD bond length	0.002
RMSD bond angle	0.523
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.050	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	83694	4528
<I/σ(I)>	10.9
Completeness [%]	100.0
Redundancy	7.3
CC(1/2)	0.998	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG3350, Sodium malonate