7ER6

Crystal structure of human Biliverdin IX-beta reductase B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	P 21 21 2
Unit cell lengths	81.871, 117.440, 41.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.720 - 1.600
R-factor	0.1632
Rwork	0.162
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1he5
RMSD bond length	0.010
RMSD bond angle	1.115
Data scaling software	HKL-2000 (1.16_3549)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	1.653
High resolution limit [Å]	1.596	1.596
Rmerge	0.098	0.374
Number of reflections	53419	5047
<I/σ(I)>	13.85
Completeness [%]	98.6
Redundancy	7.8
CC(1/2)	0.971	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	1.9M-2.0M Ammonium sulfate, 0.1M Bis-tris (pH 6.5)