6Q6Q

Human aldehyde oxidase SNP G1269R

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	2017-07-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976
Spacegroup name	P 42 21 2
Unit cell lengths	148.197, 148.197, 132.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.864 - 3.100
R-factor	0.19367591884
Rwork	0.192
R-free	0.23566
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uhx
RMSD bond length	0.007
RMSD bond angle	0.496
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	3.290
High resolution limit [Å]	3.100	3.100
Rmerge	0.110	0.921
Rmeas	0.117	0.981
Rpim	0.040	0.331
Number of reflections	50950
<I/σ(I)>	15.6
Completeness [%]	99.9
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG3350, Sodium malonate