6LKC

Crystal structure of PfaD from Shewanella piezotolerans in complex with FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	70.467, 62.568, 127.507
Unit cell angles	90.00, 105.61, 90.00

Refinement procedure

Resolution	53.609 - 1.998
R-factor	0.1812
Rwork	0.179
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yx6
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	122.810	2.110
High resolution limit [Å]	1.998	1.998
Rmerge	0.066
Number of reflections	72459	10425
<I/σ(I)>	18.7
Completeness [%]	99.7	99
Redundancy	6.8
CC(1/2)		0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	20% (w/v) polyethylene glycol 3350, 0.2M ammonium citrate tribasic, pH 7.0, 2% (v/v) dimethyl sulfoxide