6IQY

High resolution structure of bilirubin oxidase from Myrothecium verrucaria - M467Q mutant, anaerobically prepared

Replaces:  5ZD7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	59.298, 152.253, 69.908
Unit cell angles	90.00, 91.66, 90.00

Refinement procedure

Resolution	45.861 - 1.600
R-factor	0.1916
Rwork	0.191
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xll
RMSD bond length	0.008
RMSD bond angle	1.190
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.125	0.557
Number of reflections	162206
<I/σ(I)>	11.49	2.22
Completeness [%]	99.7	99.7
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MES PH 5.5, 12% (W/V) PEG 8000, 0.1M CALCIUM ACETATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K