6GMC

1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole

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	97.348, 97.348, 80.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.310 - 1.200
R-factor	0.1352
Rwork	0.134
R-free	0.15480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nzl
RMSD bond length	0.007
RMSD bond angle	1.376
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]	68.835	38.279	1.260
High resolution limit [Å]	1.200	3.790	1.200
Rmerge		0.060	0.688
Rmeas	0.088	0.069	0.793
Rpim	0.042	0.033	0.386
Total number of observations	484713	15906	68466
Number of reflections	115996	3724	16905
<I/σ(I)>	8.9	23.7	1.8
Completeness [%]	99.5	98.8	99.5
Redundancy	4.2	4.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG3350 -- 10% ethylene glycol -- 0.1M bis-tris-propane pH 7.5 -- 0.2M sodium acetate