4PTZ

Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMN-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 61 2 2
Unit cell lengths	186.746, 186.746, 93.371
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.687 - 1.901
R-factor	0.175
Rwork	0.173
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo SsuE
RMSD bond length	0.012
RMSD bond angle	1.386
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	75282
<I/σ(I)>		0.6
Completeness [%]	100.0	100
Redundancy		11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	SsuE was concentrated to ~10 mg/mL in 10 mM HEPES, pH 7.0. Crystals were grown at room temperature using hanging drops made with the 4 l of protein stock mixed with 2 l of a reservoir containing 7.5% (w/v) polyethylene glycol (PEG) 3350 and 0.1 M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K