7Z5P

Bilirubin oxidase from Bacillus pumilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	198.960, 63.510, 115.960
Unit cell angles	90.00, 124.57, 90.00

Refinement procedure

Resolution	59.220 - 2.991
Rwork	0.254
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q8b
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.220	3.098
High resolution limit [Å]	2.991	2.991
Rmerge	0.188
Rmeas	0.204
Number of reflections	24048	2229
<I/σ(I)>	7.4	1.5
Completeness [%]	98.1
Redundancy	5
CC(1/2)	0.995	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M sodium citrate pH 5.5 and 20 % PEG 3000