6GMB

Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	I 4
Unit cell lengths	97.431, 97.431, 80.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.210 - 1.350
R-factor	0.111
Rwork	0.110
R-free	0.13020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nzl
RMSD bond length	0.005
RMSD bond angle	1.258
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.894	40.182	1.420
High resolution limit [Å]	1.350	4.270	1.350
Rmerge		0.039	0.093
Rmeas	0.043	0.042	0.107
Rpim	0.017	0.016	0.052
Total number of observations	502198	17402	44710
Number of reflections	81521	2668	11329
<I/σ(I)>	29.2	47	11
Completeness [%]	99.2	99.8	94.9
Redundancy	6.2	6.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	30% PEG1000 -- 0.1M MIB pH 8.0