8H4J

Crystal Structure of AzoR-FMN-Lyb24 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	F 2 2 2
Unit cell lengths	143.040, 160.110, 335.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.060 - 2.000
R-factor	0.178
Rwork	0.176
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxp
RMSD bond length	0.015
RMSD bond angle	1.626
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.068	0.790
Rpim	0.019	0.222
Number of reflections	128804	12789
<I/σ(I)>	24.27	4.3
Completeness [%]	99.9	99.98
Redundancy	13.3	13.5
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	magnesium chloride, PEG 4000