9L10

Crystal structure of flavin reductase (StnC) complexed with FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	46.693, 53.046, 176.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.190 - 2.610
R-factor	0.23819
Rwork	0.235
R-free	0.29451
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.391
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.157	0.076	0.488
Rmeas	0.175	0.086	0.540
Rpim	0.075	0.039	0.229
Total number of observations	76151
Number of reflections	14033	785	679
<I/σ(I)>	4.4
Completeness [%]	99.3	97.2	100
Redundancy	5.4	4.9	5.3
CC(1/2)	0.972	0.981	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Ammonium citrate tribasic pH 7.0, 8% w/v Polyethylene glycol 3,350