8ELL

Apo human biliverdin reductase beta (cryogenic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.12710
Spacegroup name	P 21 21 21
Unit cell lengths	42.187, 45.668, 104.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.100 - 1.520
R-factor	0.1609
Rwork	0.160
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6opl
RMSD bond length	0.008
RMSD bond angle	0.975
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]	52.100	1.570
High resolution limit [Å]	1.520	1.520
Rmerge	0.115	1.027
Rmeas	0.120	1.085
Rpim	0.034	0.338
Number of reflections	31069	2891
<I/σ(I)>	12	1.4
Completeness [%]	97.8	92.5
Redundancy	12.5	10.1
CC(1/2)	0.999	0.743

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.