6DQI

Crystal structure of SsuE FMN reductase Y118A mutant in apo form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	39.546, 41.485, 188.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.707 - 1.950
R-factor	0.1897
Rwork	0.185
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pty
RMSD bond length	0.012
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.707	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	23620
<I/σ(I)>	17.9	7
Completeness [%]	97.7	99.2
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM Tris HCl pH 8.5 and 800 mM lithium sulfate