8ELM

Apo human biliverdin reductase beta (293K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-03-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96860
Spacegroup name	P 21 21 21
Unit cell lengths	42.591, 47.309, 101.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.500 - 2.190
R-factor	0.1775
Rwork	0.175
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6opl
RMSD bond length	0.002
RMSD bond angle	0.423
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.500	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.228	1.296
Rmeas	0.301	1.352
Rpim	0.086	0.379
Number of reflections	10970	1065
<I/σ(I)>	8.24	1.81
Completeness [%]	99.3	97.4
Redundancy	12.4	12.4
CC(1/2)	0.969	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES pH 6.5, 1-4% PEG 20000. Equilibrated over 0.25-0.5 M NaCl. BLVRB 18 mg/mL.