7R4N

Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91587
Spacegroup name	I 4
Unit cell lengths	97.000, 97.000, 80.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.090 - 1.700
R-factor	0.1638
Rwork	0.162
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gmb
RMSD bond length	0.015
RMSD bond angle	1.796
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.090	62.010	1.500
High resolution limit [Å]	1.460	6.530	1.460
Rmerge	0.058	0.022	1.049
Rmeas	0.063	0.025	1.213
Rpim	0.025	0.010	0.600
Number of reflections	64629	759	4781
<I/σ(I)>	14.5
Completeness [%]	99.9	99.9	99.7
Redundancy	5.9	6.3	4
CC(1/2)	0.999	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M MIB pH 7; 30% PEG1000