9WVG

Crystal structure of B. subtilis YdzF in oxidized state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-11-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	C 2 2 21
Unit cell lengths	117.430, 118.500, 80.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.706 - 2.262
Rwork	0.224
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.637
Data reduction software	iMOSFLM (7.4)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.830	2.350
High resolution limit [Å]	2.260	2.260
Rmerge	0.079	0.405
Rmeas	0.098	0.501
Rpim	0.056	0.292
Number of reflections	25498	2278
<I/σ(I)>	5.7	2.5
Completeness [%]	98.7	97
Redundancy	2.83	2.75
CC(1/2)	0.995	0.309

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	298	Protein buffer: 50 mM HEPES-Na, pH 7.5, 100 mM NaCl, 5% (v/v) glycerol. Crystallization solution: 200 mM sodium citrate tribasic dihydrate, 100 mM HEPES-Na, pH 7.5, 30% (v/v) (+/-)-2-methyl-2,4-pentanediol (MPD). Protein and crystallization solution were mixed 1:1 (microbatch under 1:1 paraffin oil to silicon oil).