5EPG

Human aldehyde oxidase SNP S1271L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	193
Detector technology	PIXEL
Collection date	2013-01-27
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.98
Spacegroup name	P 42 21 2
Unit cell lengths	147.439, 147.439, 131.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 3.390
R-factor	0.1666
Rwork	0.162
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uhw
RMSD bond length	0.010
RMSD bond angle	1.550
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.150	49.150	3.640
High resolution limit [Å]	3.370	8.910	3.370
Rmerge	0.310	0.054	2.025
Rpim	0.099	0.018	0.665
Total number of observations	222236	11967	41285
Number of reflections	20918
<I/σ(I)>	9.3	30	1.9
Completeness [%]	98.9	99.4	94.7
Redundancy	10.6	9.4	10.2
CC(1/2)	0.989	0.998	0.218

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	PEG 4000