6M8U

Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-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	2017-02-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 2 3
Unit cell lengths	98.720, 98.720, 98.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.498 - 2.221
R-factor	0.1591
Rwork	0.157
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ejb
RMSD bond length	0.017
RMSD bond angle	1.410
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.046	0.829
Rpim	0.018	0.332
Number of reflections	15752	799
<I/σ(I)>	38.26	1.32
Completeness [%]	99.9	100
Redundancy	7.3	7.2
CC(1/2)		0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M Hepes pH 7.5, 0.2 M calcium chloride, 28% (w/v) PEG400 Cryoprotectant paratone