6M8T

Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 2 3
Unit cell lengths	98.560, 98.560, 98.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.237 - 1.670
R-factor	0.1494
Rwork	0.148
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ejb
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.240	1.710
High resolution limit [Å]	1.670	1.670
Rmerge	0.061	1.380
Rpim	0.024	0.550
Number of reflections	18632	1371
<I/σ(I)>	22.4	1.4
Completeness [%]	100.0	100
Redundancy	7.4	7.2
CC(1/2)	1.000	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.05 M Tris pH 8.5, 5 mM magnesium chloride, 50 mM potassium chloride, 5 mM ammonium sulfate, 30% (w/v) PEG400 cryoprotectant 5% PEG200