4PTY

Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in apo 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	2009-04-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 61 2 2
Unit cell lengths	185.838, 185.838, 91.582
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.459 - 2.100
R-factor	0.1821
Rwork	0.179
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2VZF
RMSD bond length	0.014
RMSD bond angle	1.411
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	52483
<I/σ(I)>		0.36
Completeness [%]	96.1	71.1
Redundancy		3.2

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