6XHG

Far-red absorbing dark state of JSC1_58120g3 with bound biliverdin IXa (BV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	32.220, 36.130, 75.490
Unit cell angles	100.54, 95.55, 90.01

Refinement procedure

Resolution	36.928 - 2.300
R-factor	0.2326
Rwork	0.231
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	JSC1_58120g3 with 18-1 18-2 DHBV-adduct
RMSD bond length	0.003
RMSD bond angle	0.784
Data reduction software	Aimless (0.7.3)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.860	73.860	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.074	0.030	0.394
Rmeas	0.105	0.042	0.557
Rpim	0.074	0.030	0.394
Number of reflections	12858	221	1296
<I/σ(I)>	2.9
Completeness [%]	86.8	86.3	91.6
Redundancy	1.7	1.8	1.7
CC(1/2)	0.992	0.995	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Ammonium Chloride, 35% (w/v) PEG 6000, 0.1 M Sodium Acetate