4UHX

Human aldehyde oxidase in complex with phthalazine and thioridazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 42 21 2
Unit cell lengths	148.732, 148.732, 132.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.170 - 2.700
R-factor	0.19774
Rwork	0.195
R-free	0.24408
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zyv
RMSD bond length	0.007
RMSD bond angle	1.164
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.400	2.810
High resolution limit [Å]	2.700	2.700
Rmerge	0.030	0.590
Number of reflections	41407
<I/σ(I)>	22.2	1.6
Completeness [%]	99.8	98.7
Redundancy	12	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1