6M8V

Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, 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	F 2 3
Unit cell lengths	133.440, 133.440, 133.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.238 - 2.221
R-factor	0.1581
Rwork	0.155
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ejb
RMSD bond length	0.004
RMSD bond angle	0.648
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	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	1.382
Rpim	0.020	0.296
Number of reflections	11575	1130
<I/σ(I)>	41.48	2.1
Completeness [%]	100.0	100
Redundancy	20.7	22.7
CC(1/2)		0.774

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 5% glycerol, paratone