6O0A

Crystal structure of flavohemoglobin from Malassezia yamatoensis with bound FAD and heme determined by iron SAD phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-16
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	91.010, 110.600, 39.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.260 - 1.700
R-factor	0.1688
Rwork	0.167
R-free	0.19770
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.260	47.260	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.057	0.038	0.546
Rmeas	0.060	0.040	0.618
Total number of observations	795009
Number of reflections	44250	933	6074
<I/σ(I)>	24.66	79.98	2.46
Completeness [%]	99.9	99.8	98.8
Redundancy	9.509	14.779	4.405
CC(1/2)	0.999	1.000	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	19.93 mg/mL MayaA.00765.a.TH11.PD38344, 1:1 with Morpheus(b12) (12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% MPD, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, 0.1 M bicine/Trizma base, pH 8.5), tray: 306177b12, puck: swh5-1